N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine

C18H30N2 — CID 79008013

IUPACN'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(Cc1ccccc1)NCCN(C)C1CCCC1
InChIInChI=1S/C18H30N2/c1-3-17(15-16-9-5-4-6-10-16)19-13-14-20(2)18-11-7-8-12-18/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3
InChIKeyBODXXYQSGHSKCR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds8

About N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine (PubChem CID 79008013) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
PubChem CID79008013
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(Cc1ccccc1)NCCN(C)C1CCCC1
InChIInChI=1S/C18H30N2/c1-3-17(15-16-9-5-4-6-10-16)19-13-14-20(2)18-11-7-8-12-18/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3
InChIKeyBODXXYQSGHSKCR-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 55205255
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
CID 59728996
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine (CID 79008013) is N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine is CCC(Cc1ccccc1)NCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is BODXXYQSGHSKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-17(15-16-9-5-4-6-10-16)19-13-14-20(2)18-11-7-8-12-18/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79008013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).