N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine

C16H26N2O — CID 62562030

IUPACN-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOc1ccccc1N(C)CCCNC1CCCC1
InChIInChI=1S/C16H26N2O/c1-18(15-10-5-6-11-16(15)19-2)13-7-12-17-14-8-3-4-9-14/h5-6,10-11,14,17H,3-4,7-9,12-13H2,1-2H3
InChIKeyVETPWOQTTLTQOL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.05
Rot. Bonds7

About N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine

N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62562030) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
PubChem CID62562030
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOc1ccccc1N(C)CCCNC1CCCC1
InChIInChI=1S/C16H26N2O/c1-18(15-10-5-6-11-16(15)19-2)13-7-12-17-14-8-3-4-9-14/h5-6,10-11,14,17H,3-4,7-9,12-13H2,1-2H3
InChIKeyVETPWOQTTLTQOL-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-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

N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62555730
N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126
2-methoxy-N-methyl-N-(3-piperidin-2-ylpropyl)aniline
CID 62213433
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N-[[2-(ethylamino)cyclohexyl]methyl]-2-methoxy-N-methylaniline
CID 62614958
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine (CID 62562030) is N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine is COc1ccccc1N(C)CCCNC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is VETPWOQTTLTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(15-10-5-6-11-16(15)19-2)13-7-12-17-14-8-3-4-9-14/h5-6,10-11,14,17H,3-4,7-9,12-13H2,1-2H3.
What are the key properties of N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine?
N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62562030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).