N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine

C13H28N2 — CID 63657941

IUPACN-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)NCCN(C)CC1CCCC1
InChIInChI=1S/C13H28N2/c1-4-12(2)14-9-10-15(3)11-13-7-5-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyFHCYAWIJFGEIFX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds7

About N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine

N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 63657941) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
PubChem CID63657941
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)NCCN(C)CC1CCCC1
InChIInChI=1S/C13H28N2/c1-4-12(2)14-9-10-15(3)11-13-7-5-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyFHCYAWIJFGEIFX-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
CID 62561272
N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62561284
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561624
1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568202
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
CID 163258522
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63705997
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine (CID 63657941) is N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine is CCC(C)NCCN(C)CC1CCCC1.
What is the InChIKey of N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is FHCYAWIJFGEIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12(2)14-9-10-15(3)11-13-7-5-6-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine?
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63657941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).