N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C13H28N2 — CID 62425000

IUPACN'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)C1CCCCC1
InChIInChI=1S/C13H28N2/c1-12(2)11-14-9-10-15(3)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyOHBVKPXNGQYIDT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62425000) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62425000
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)C1CCCCC1
InChIInChI=1S/C13H28N2/c1-12(2)11-14-9-10-15(3)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyOHBVKPXNGQYIDT-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 176601683
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol
CID 63931748

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62425000) is N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is OHBVKPXNGQYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)11-14-9-10-15(3)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62425000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).