N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine

C12H24N2 — CID 130815534

IUPACN-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
SMILESCC1CCC(NC2CN(C)C2)CC1C
InChIInChI=1S/C12H24N2/c1-9-4-5-11(6-10(9)2)13-12-7-14(3)8-12/h9-13H,4-8H2,1-3H3
InChIKeyWYOCKMVDWZUKEX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.71
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine

N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine (PubChem CID 130815534) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
PubChem CID130815534
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
SMILESCC1CCC(NC2CN(C)C2)CC1C
InChIInChI=1S/C12H24N2/c1-9-4-5-11(6-10(9)2)13-12-7-14(3)8-12/h9-13H,4-8H2,1-3H3
InChIKeyWYOCKMVDWZUKEX-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-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

N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
CID 64745426
N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
N-(3,4-dimethylcyclohexyl)oxan-4-amine
CID 64732595
N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64745242
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
CID 112753327
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 64731982
cyclopropyl-[4-[(3,4-dimethylcyclohexyl)amino]piperidin-1-yl]methanone
CID 64746197
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine (CID 130815534) is N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine is CC1CCC(NC2CN(C)C2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine?
The InChIKey is WYOCKMVDWZUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-4-5-11(6-10(9)2)13-12-7-14(3)8-12/h9-13H,4-8H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine?
N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine is sourced from PubChem (CID 130815534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).