3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine

C14H22N2O — CID 114543322

IUPAC3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-14(2)5-4-11(9-14)16-12-6-10(15)7-13(8-12)17-3/h6-8,11,16H,4-5,9,15H2,1-3H3
InChIKeyQLWXPAXFRQLFKI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds3

About 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine

3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine (PubChem CID 114543322) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine
PubChem CID114543322
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-14(2)5-4-11(9-14)16-12-6-10(15)7-13(8-12)17-3/h6-8,11,16H,4-5,9,15H2,1-3H3
InChIKeyQLWXPAXFRQLFKI-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-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-(3,3-dimethylcyclopentyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 114543343
3-N-(4-ethylcyclohexyl)-5-methoxybenzene-1,3-diamine
CID 80745621
5-methoxy-3-N-(1-oxothian-4-yl)benzene-1,3-diamine
CID 113479702
N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
CID 80693379
3-N-(1,1-dioxothiolan-3-yl)-5-methoxybenzene-1,3-diamine
CID 80721928
4-(3-amino-5-methoxyanilino)pyrrolidin-2-one
CID 106183164
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
3-bromo-5-methoxy-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82868173
5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 80735658
4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine
CID 106751041
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
CID 80705000

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine (CID 114543322) is 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine is COc1cc(N)cc(NC2CCC(C)(C)C2)c1.
What is the InChIKey of 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine?
The InChIKey is QLWXPAXFRQLFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)5-4-11(9-14)16-12-6-10(15)7-13(8-12)17-3/h6-8,11,16H,4-5,9,15H2,1-3H3.
What are the key properties of 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine?
3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 114543322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).