1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine

C17H28N2 — CID 104745809

IUPAC1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCNC(CN(C)c1ccccc1C)C1CCCC1
InChIInChI=1S/C17H28N2/c1-4-18-16(15-10-6-7-11-15)13-19(3)17-12-8-5-9-14(17)2/h5,8-9,12,15-16,18H,4,6-7,10-11,13H2,1-3H3
InChIKeyWSQIWSAWCMDPKB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine

1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 104745809) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine
PubChem CID104745809
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCNC(CN(C)c1ccccc1C)C1CCCC1
InChIInChI=1S/C17H28N2/c1-4-18-16(15-10-6-7-11-15)13-19(3)17-12-8-5-9-14(17)2/h5,8-9,12,15-16,18H,4,6-7,10-11,13H2,1-3H3
InChIKeyWSQIWSAWCMDPKB-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 104744322
1-cyclopropyl-N-ethyl-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 63914549
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447669
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745467
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine (CID 104745809) is 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine is CCNC(CN(C)c1ccccc1C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is WSQIWSAWCMDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-16(15-10-6-7-11-15)13-19(3)17-12-8-5-9-14(17)2/h5,8-9,12,15-16,18H,4,6-7,10-11,13H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine?
1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 6 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'-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 104745809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).