1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine

C14H30N2 — CID 63632628

IUPAC1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)CCN(C)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-4-10-15-13(2)9-11-16(3)12-14-7-5-6-8-14/h13-15H,4-12H2,1-3H3
InChIKeyXUPDAWCZOCEVCN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine

1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine (PubChem CID 63632628) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
PubChem CID63632628
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)CCN(C)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-4-10-15-13(2)9-11-16(3)12-14-7-5-6-8-14/h13-15H,4-12H2,1-3H3
InChIKeyXUPDAWCZOCEVCN-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
CID 62561272
4-[cyclohexylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64827016
4-[cyclobutylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64787236
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62561284
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
CID 163258522
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine (CID 63632628) is 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine is CCCNC(C)CCN(C)CC1CCCC1.
What is the InChIKey of 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine?
The InChIKey is XUPDAWCZOCEVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-10-15-13(2)9-11-16(3)12-14-7-5-6-8-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine?
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 63632628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).