N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine

C16H26N2 — CID 61308928

IUPACN'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cccc(C)c1)C1CCCC1
InChIInChI=1S/C16H26N2/c1-3-18(15-9-4-5-10-15)12-16(17)14-8-6-7-13(2)11-14/h6-8,11,15-16H,3-5,9-10,12,17H2,1-2H3
InChIKeyHZIUTOLLRNFPQT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds5

About N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine

N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61308928) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61308928
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cccc(C)c1)C1CCCC1
InChIInChI=1S/C16H26N2/c1-3-18(15-9-4-5-10-15)12-16(17)14-8-6-7-13(2)11-14/h6-8,11,15-16H,3-5,9-10,12,17H2,1-2H3
InChIKeyHZIUTOLLRNFPQT-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 43541045
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine (CID 61308928) is N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine is CCN(CC(N)c1cccc(C)c1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is HZIUTOLLRNFPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(15-9-4-5-10-15)12-16(17)14-8-6-7-13(2)11-14/h6-8,11,15-16H,3-5,9-10,12,17H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61308928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).