N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine

C13H28N2 — CID 63655712

IUPACN'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
SMILESCNCCCCCN(C)CC1CCCC1
InChIInChI=1S/C13H28N2/c1-14-10-6-3-7-11-15(2)12-13-8-4-5-9-13/h13-14H,3-12H2,1-2H3
InChIKeyOYLAHOBTZNGVJG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds8

About N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine

N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine (PubChem CID 63655712) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
PubChem CID63655712
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
SMILESCNCCCCCN(C)CC1CCCC1
InChIInChI=1S/C13H28N2/c1-14-10-6-3-7-11-15(2)12-13-8-4-5-9-13/h13-14H,3-12H2,1-2H3
InChIKeyOYLAHOBTZNGVJG-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
CID 62461166
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine (CID 63655712) is N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine is CNCCCCCN(C)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine?
The InChIKey is OYLAHOBTZNGVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-14-10-6-3-7-11-15(2)12-13-8-4-5-9-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine?
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 63655712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).