1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

C16H34N2 — CID 104745467

IUPAC1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C(C)CC(C)C)C1CCCC1
InChIInChI=1S/C16H34N2/c1-6-17-16(15-9-7-8-10-15)12-18(5)14(4)11-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyPYSNUBYNEJYTJV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 104745467) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID104745467
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C(C)CC(C)C)C1CCCC1
InChIInChI=1S/C16H34N2/c1-6-17-16(15-9-7-8-10-15)12-18(5)14(4)11-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyPYSNUBYNEJYTJV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745466
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
1-cyclopentyl-N-ethyl-4,6-dimethylheptan-1-amine
CID 114200352
1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63913206
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (CID 104745467) is 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is CCNC(CN(C)C(C)CC(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is PYSNUBYNEJYTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-17-16(15-9-7-8-10-15)12-18(5)14(4)11-13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).