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Chemical ID: 4263955
Chemical ID:
4263955
Name [?]:
1-adamantylammonium
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)[NH3+]
InChi [?]:
InChI=1/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,3,5,9,7,10,2,6,4,8,11/E:(1,2,3)(4,5,6)(7,8,9)/rA:11nCCCCCCCCCCN+/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.979 |
Area: | 281.653 |
Solvation: | -37.0204 |
Coulombic: | 39.9919 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.257 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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