3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine

C15H25N3 — CID 63314499

IUPAC3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NCCN(C)C1CCCC1
InChIInChI=1S/C15H25N3/c1-12-14(16)8-5-9-15(12)17-10-11-18(2)13-6-3-4-7-13/h5,8-9,13,17H,3-4,6-7,10-11,16H2,1-2H3
InChIKeyCPUDITCWMXRDCE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.86
Rot. Bonds5

About 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine

3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine (PubChem CID 63314499) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
PubChem CID63314499
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NCCN(C)C1CCCC1
InChIInChI=1S/C15H25N3/c1-12-14(16)8-5-9-15(12)17-10-11-18(2)13-6-3-4-7-13/h5,8-9,13,17H,3-4,6-7,10-11,16H2,1-2H3
InChIKeyCPUDITCWMXRDCE-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 63314722
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
CID 63314897
3-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzene-1,3-diamine
CID 62977758
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
CID 63077474
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine (CID 63314499) is 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine is Cc1c(N)cccc1NCCN(C)C1CCCC1.
What is the InChIKey of 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine?
The InChIKey is CPUDITCWMXRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-14(16)8-5-9-15(12)17-10-11-18(2)13-6-3-4-7-13/h5,8-9,13,17H,3-4,6-7,10-11,16H2,1-2H3.
What are the key properties of 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine?
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63314499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).