1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine

C16H26N2 — CID 113448192

IUPAC1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)CC(N)C2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-3-13-8-10-15(11-9-13)18(2)12-16(17)14-6-4-5-7-14/h8-11,14,16H,3-7,12,17H2,1-2H3
InChIKeyWQGBVBRISKXQQJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds5

About 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine

1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 113448192) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID113448192
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)CC(N)C2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-3-13-8-10-15(11-9-13)18(2)12-16(17)14-6-4-5-7-14/h8-11,14,16H,3-7,12,17H2,1-2H3
InChIKeyWQGBVBRISKXQQJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine (CID 113448192) is 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine is CCc1ccc(N(C)CC(N)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is WQGBVBRISKXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13-8-10-15(11-9-13)18(2)12-16(17)14-6-4-5-7-14/h8-11,14,16H,3-7,12,17H2,1-2H3.
What are the key properties of 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113448192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).