N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine

C16H34N2 — CID 62412553

IUPACN'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
SMILESCC(C)NCCCCCN(C)CC1CCCCC1
InChIInChI=1S/C16H34N2/c1-15(2)17-12-8-5-9-13-18(3)14-16-10-6-4-7-11-16/h15-17H,4-14H2,1-3H3
InChIKeyDJUCINZRJFGJSD-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine

N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine (PubChem CID 62412553) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
PubChem CID62412553
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
SMILESCC(C)NCCCCCN(C)CC1CCCCC1
InChIInChI=1S/C16H34N2/c1-15(2)17-12-8-5-9-13-18(3)14-16-10-6-4-7-11-16/h15-17H,4-14H2,1-3H3
InChIKeyDJUCINZRJFGJSD-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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,N'-dimethylpentane-1,5-diamine
CID 63655712
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'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine (CID 62412553) is N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine is CC(C)NCCCCCN(C)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The InChIKey is DJUCINZRJFGJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-15(2)17-12-8-5-9-13-18(3)14-16-10-6-4-7-11-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62412553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).