N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine

C14H30N2 — CID 63657735

IUPACN'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-3-10-15-11-6-7-12-16(2)13-14-8-4-5-9-14/h14-15H,3-13H2,1-2H3
InChIKeyZAIODJWUIQNVEA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds9

About N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine

N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine (PubChem CID 63657735) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
PubChem CID63657735
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-3-10-15-11-6-7-12-16(2)13-14-8-4-5-9-14/h14-15H,3-13H2,1-2H3
InChIKeyZAIODJWUIQNVEA-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine (CID 63657735) is N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine is CCCNCCCCN(C)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine?
The InChIKey is ZAIODJWUIQNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-10-15-11-6-7-12-16(2)13-14-8-4-5-9-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine?
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine is sourced from PubChem (CID 63657735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).