N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine

C14H30N2 — CID 63656557

IUPACN'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
SMILESCN(CCCCCCCN)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-16(13-14-9-5-6-10-14)12-8-4-2-3-7-11-15/h14H,2-13,15H2,1H3
InChIKeyNGQRQMHXPRIRMG-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.02
Rot. Bonds9

About N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine

N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine (PubChem CID 63656557) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
PubChem CID63656557
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
SMILESCN(CCCCCCCN)CC1CCCC1
InChIInChI=1S/C14H30N2/c1-16(13-14-9-5-6-10-14)12-8-4-2-3-7-11-15/h14H,2-13,15H2,1H3
InChIKeyNGQRQMHXPRIRMG-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 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 ≤ 53.02
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'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N'-methyl-N'-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 63877714
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
4-bromo-N-(cyclopropylmethyl)-N-methylbutan-1-amine
CID 61287552

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine (CID 63656557) is N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine is CN(CCCCCCCN)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine?
The InChIKey is NGQRQMHXPRIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-16(13-14-9-5-6-10-14)12-8-4-2-3-7-11-15/h14H,2-13,15H2,1H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine?
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine is sourced from PubChem (CID 63656557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).