(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H26N2 — CID 667781

IUPAC(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(NC1CCCCC1)C2
InChIInChI=1S/C14H26N2/c1-16-13-7-8-14(16)10-12(9-13)15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3/t12?,13-,14+
InChIKeyWGUYSKWWJNQJSC-AGUYFDCRSA-N
MW222.38 g/mol
LogP2.53
Rot. Bonds2

About (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 667781) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID667781
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(NC1CCCCC1)C2
InChIInChI=1S/C14H26N2/c1-16-13-7-8-14(16)10-12(9-13)15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3/t12?,13-,14+
InChIKeyWGUYSKWWJNQJSC-AGUYFDCRSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
8-methyl-N-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43373311
N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64731674
N-(azetidin-3-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130679247
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461
N-cyclohexylcyclohexanamine;ethane
CID 67925930
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543
N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54932012

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 667781) is (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1[C@@H]2CC[C@H]1CC(NC1CCCCC1)C2.
What is the InChIKey of (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WGUYSKWWJNQJSC-AGUYFDCRSA-N. The full InChI is InChI=1S/C14H26N2/c1-16-13-7-8-14(16)10-12(9-13)15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3/t12?,13-,14+.
What are the key properties of (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 667781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).