(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine

C17H29N — CID 69371168

IUPAC(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine
SMILESC[C@]1(C2CCCCC2)C2CC3C[C@@H](C2)CC1(N)C3
InChIInChI=1S/C17H29N/c1-16(14-5-3-2-4-6-14)15-8-12-7-13(9-15)11-17(16,18)10-12/h12-15H,2-11,18H2,1H3/t12-,13?,15?,16-,17?/m0/s1
InChIKeyXCTRGODESGLSHD-KNHJDUNCSA-N
MW247.43 g/mol
LogP4.11
Rot. Bonds1

About (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine

(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine (PubChem CID 69371168) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine.

Molecular Properties

Compound Name(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine
PubChem CID69371168
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine
SMILESC[C@]1(C2CCCCC2)C2CC3C[C@@H](C2)CC1(N)C3
InChIInChI=1S/C17H29N/c1-16(14-5-3-2-4-6-14)15-8-12-7-13(9-15)11-17(16,18)10-12/h12-15H,2-11,18H2,1H3/t12-,13?,15?,16-,17?/m0/s1
InChIKeyXCTRGODESGLSHD-KNHJDUNCSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tricyclo[3.3.1.03,7]nonane-3,7-diamine
CID 10855666
(1,2-dicyclohexyl-2-adamantyl)stibane
CID 173183806
spiro[adamantane-2,2'-imidazolidine]-1-amine
CID 91498453
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
1-(1-adamantyl)-2,2-dimethyladamantane
CID 151845126
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
1-cyclopentyl-2,2-dimethylcyclopropan-1-amine
CID 83682013
1-(2,2-dimethyl-1-adamantyl)piperidine
CID 71459394
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
1-cycloheptyl-2-methylcyclohexane-1,2-diamine
CID 129213673
3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol
CID 115021199

Frequently Asked Questions

What is the IUPAC name of (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine?
The IUPAC name of (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine (CID 69371168) is (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine.
What is the SMILES notation for (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine?
The canonical SMILES for (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine is C[C@]1(C2CCCCC2)C2CC3C[C@@H](C2)CC1(N)C3.
What is the InChIKey of (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine?
The InChIKey is XCTRGODESGLSHD-KNHJDUNCSA-N. The full InChI is InChI=1S/C17H29N/c1-16(14-5-3-2-4-6-14)15-8-12-7-13(9-15)11-17(16,18)10-12/h12-15H,2-11,18H2,1H3/t12-,13?,15?,16-,17?/m0/s1.
What are the key properties of (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine?
(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine is sourced from PubChem (CID 69371168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).