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

C18H30N2 — CID 63314482

IUPACN'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(C(C)NCCN(C)C2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-16-9-11-17(12-10-16)15(2)19-13-14-20(3)18-7-5-6-8-18/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyXSDDHSQYWNYFRZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds7

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

N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 63314482) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID63314482
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(C(C)NCCN(C)C2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-16-9-11-17(12-10-16)15(2)19-13-14-20(3)18-7-5-6-8-18/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyXSDDHSQYWNYFRZ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707
N'-cyclohexyl-N-[1-(4-iodophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 63452116
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314672
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314663
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine (CID 63314482) is N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine is CCc1ccc(C(C)NCCN(C)C2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is XSDDHSQYWNYFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-16-9-11-17(12-10-16)15(2)19-13-14-20(3)18-7-5-6-8-18/h9-12,15,18-19H,4-8,13-14H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63314482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).