2-(azocan-1-yl)-4-methylcyclohexan-1-amine

C14H28N2 — CID 43211884

IUPAC2-(azocan-1-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(N2CCCCCCC2)C1
InChIInChI=1S/C14H28N2/c1-12-7-8-13(15)14(11-12)16-9-5-3-2-4-6-10-16/h12-14H,2-11,15H2,1H3
InChIKeyJEFWOQTVOUOZEF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds1

About 2-(azocan-1-yl)-4-methylcyclohexan-1-amine

2-(azocan-1-yl)-4-methylcyclohexan-1-amine (PubChem CID 43211884) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(azocan-1-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(azocan-1-yl)-4-methylcyclohexan-1-amine
PubChem CID43211884
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-(azocan-1-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(N2CCCCCCC2)C1
InChIInChI=1S/C14H28N2/c1-12-7-8-13(15)14(11-12)16-9-5-3-2-4-6-10-16/h12-14H,2-11,15H2,1H3
InChIKeyJEFWOQTVOUOZEF-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-(azocan-1-yl)-4-methylcyclohexan-1-amine 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-(azepan-1-yl)cyclopropan-1-amine
CID 79671286
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 16791098
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
2-pyrrolidin-1-ylcyclopropan-1-amine
CID 79670204
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 55141742
2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
CID 113441638
4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
CID 82171454
(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane
CID 124935603
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
trans-(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 30819011
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane
CID 143770617

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(azocan-1-yl)-4-methylcyclohexan-1-amine (CID 43211884) is 2-(azocan-1-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(azocan-1-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(azocan-1-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(N2CCCCCCC2)C1.
What is the InChIKey of 2-(azocan-1-yl)-4-methylcyclohexan-1-amine?
The InChIKey is JEFWOQTVOUOZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-7-8-13(15)14(11-12)16-9-5-3-2-4-6-10-16/h12-14H,2-11,15H2,1H3.
What are the key properties of 2-(azocan-1-yl)-4-methylcyclohexan-1-amine?
2-(azocan-1-yl)-4-methylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43211884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).