[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine

C14H28N2 — CID 96604453

IUPAC[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
SMILESC[C@@H]1[C@@H](CN)CCCCN1C1CCCCC1
InChIInChI=1S/C14H28N2/c1-12-13(11-15)7-5-6-10-16(12)14-8-3-2-4-9-14/h12-14H,2-11,15H2,1H3/t12-,13-/m1/s1
InChIKeyMLAZOQSFKFYVFN-CHWSQXEVSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds2

About [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine

[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine (PubChem CID 96604453) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
PubChem CID96604453
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
SMILESC[C@@H]1[C@@H](CN)CCCCN1C1CCCCC1
InChIInChI=1S/C14H28N2/c1-12-13(11-15)7-5-6-10-16(12)14-8-3-2-4-9-14/h12-14H,2-11,15H2,1H3/t12-,13-/m1/s1
InChIKeyMLAZOQSFKFYVFN-CHWSQXEVSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
CID 83846817
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine
CID 130834481
3-chloro-1-cyclohexyl-2-methylpiperidine
CID 130979196
[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine
CID 96615677
3-(chloromethyl)-1-cyclopentyl-2-methylpyrrolidine
CID 130920880
1-cyclohexyl-2,3-dimethylpiperidin-4-amine
CID 79398517
3-bromo-1-cycloheptyl-2-methylpiperidine
CID 130934256
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908
(2-methylcyclodecyl)methanamine
CID 163635360
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 130143986
(4-cyclohexyl-5-methylmorpholin-2-yl)methanamine
CID 81217618

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine (CID 96604453) is [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine is C[C@@H]1[C@@H](CN)CCCCN1C1CCCCC1.
What is the InChIKey of [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine?
The InChIKey is MLAZOQSFKFYVFN-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-13(11-15)7-5-6-10-16(12)14-8-3-2-4-9-14/h12-14H,2-11,15H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine?
[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine is sourced from PubChem (CID 96604453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).