3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine

C13H20N2 — CID 63077474

IUPAC3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N(C)C1CCCC1
InChIInChI=1S/C13H20N2/c1-10-12(14)8-5-9-13(10)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,14H2,1-2H3
InChIKeyACMMIKRIOQFUAV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.96
Rot. Bonds2

About 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine

3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine (PubChem CID 63077474) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
PubChem CID63077474
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N(C)C1CCCC1
InChIInChI=1S/C13H20N2/c1-10-12(14)8-5-9-13(10)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,14H2,1-2H3
InChIKeyACMMIKRIOQFUAV-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine 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

3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
CID 63076254
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
CID 113332437
2-N-methyl-2-N-(thian-4-yl)benzene-1,2-diamine
CID 83838961
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
N-cyclohexyl-N,1-dimethylnaphthalen-2-amine
CID 154699282
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine (CID 63077474) is 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine is Cc1c(N)cccc1N(C)C1CCCC1.
What is the InChIKey of 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine?
The InChIKey is ACMMIKRIOQFUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-12(14)8-5-9-13(10)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,14H2,1-2H3.
What are the key properties of 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine?
3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 63077474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).