N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine

C15H32N2 — CID 55205255

IUPACN'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CCC)NCCN(C)C1CCCC1
InChIInChI=1S/C15H32N2/c1-4-8-14(9-5-2)16-12-13-17(3)15-10-6-7-11-15/h14-16H,4-13H2,1-3H3
InChIKeyMPILZPQERGABAS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds9

About N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine (PubChem CID 55205255) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
PubChem CID55205255
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CCC)NCCN(C)C1CCCC1
InChIInChI=1S/C15H32N2/c1-4-8-14(9-5-2)16-12-13-17(3)15-10-6-7-11-15/h14-16H,4-13H2,1-3H3
InChIKeyMPILZPQERGABAS-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62974974
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
4-[cycloheptyl(methyl)amino]-2-(propylamino)butanenitrile
CID 63027524
2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
CID 63318071
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
N'-cyclopentyl-N'-methyl-N-[1-(1-methylcyclopropyl)ethyl]ethane-1,2-diamine
CID 63314802

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine (CID 55205255) is N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine is CCCC(CCC)NCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The InChIKey is MPILZPQERGABAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-8-14(9-5-2)16-12-13-17(3)15-10-6-7-11-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55205255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).