N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

C16H26N2 — CID 62554220

IUPACN-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)CCNCC2CCCC2)c1
InChIInChI=1S/C16H26N2/c1-14-6-5-9-16(12-14)18(2)11-10-17-13-15-7-3-4-8-15/h5-6,9,12,15,17H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyOEHVOLJEMCAYQR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds6

About N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62554220) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62554220
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)CCNCC2CCCC2)c1
InChIInChI=1S/C16H26N2/c1-14-6-5-9-16(12-14)18(2)11-10-17-13-15-7-3-4-8-15/h5-6,9,12,15,17H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyOEHVOLJEMCAYQR-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55197401
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206
N-(2-butoxyethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 55090228
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554878
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
CID 79564547
N-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 62554220) is N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(C)CCNCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is OEHVOLJEMCAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-6-5-9-16(12-14)18(2)11-10-17-13-15-7-3-4-8-15/h5-6,9,12,15,17H,3-4,7-8,10-11,13H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62554220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).