N'-(2,3-dimethylcyclohexyl)methanediamine

C9H20N2 — CID 143582027

IUPACN'-(2,3-dimethylcyclohexyl)methanediamine
SMILESCC1CCCC(NCN)C1C
InChIInChI=1S/C9H20N2/c1-7-4-3-5-9(8(7)2)11-6-10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyFATNDIWTPVFARA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.32
Rot. Bonds2

About N'-(2,3-dimethylcyclohexyl)methanediamine

N'-(2,3-dimethylcyclohexyl)methanediamine (PubChem CID 143582027) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-(2,3-dimethylcyclohexyl)methanediamine.

Molecular Properties

Compound NameN'-(2,3-dimethylcyclohexyl)methanediamine
PubChem CID143582027
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-(2,3-dimethylcyclohexyl)methanediamine
SMILESCC1CCCC(NCN)C1C
InChIInChI=1S/C9H20N2/c1-7-4-3-5-9(8(7)2)11-6-10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyFATNDIWTPVFARA-UHFFFAOYSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(2,3-dimethylcyclohexyl)methanediamine 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

2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
CID 28584708
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
CID 64774982
2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
CID 106451456
1-N,3-N-bis(3-aminopropyl)-2-methylcyclohexane-1,3-diamine
CID 134587942
2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
CID 66386630
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
CID 43242623

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylcyclohexyl)methanediamine?
The IUPAC name of N'-(2,3-dimethylcyclohexyl)methanediamine (CID 143582027) is N'-(2,3-dimethylcyclohexyl)methanediamine.
What is the SMILES notation for N'-(2,3-dimethylcyclohexyl)methanediamine?
The canonical SMILES for N'-(2,3-dimethylcyclohexyl)methanediamine is CC1CCCC(NCN)C1C.
What is the InChIKey of N'-(2,3-dimethylcyclohexyl)methanediamine?
The InChIKey is FATNDIWTPVFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7-4-3-5-9(8(7)2)11-6-10/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of N'-(2,3-dimethylcyclohexyl)methanediamine?
N'-(2,3-dimethylcyclohexyl)methanediamine has a molecular weight of 156.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylcyclohexyl)methanediamine is sourced from PubChem (CID 143582027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).