2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

C13H28N2 — CID 103109993

IUPAC2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-15(3)11-12(2)14-10-13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3
InChIKeyPQDKXJNQJNCHOA-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 103109993) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID103109993
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-15(3)11-12(2)14-10-13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3
InChIKeyPQDKXJNQJNCHOA-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

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Related Compounds

2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109683
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)
CID 158956427
1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 103110064
2-N-cyclobutyl-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 162433751
2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
CID 103107981
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 103109993) is 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCN(C)CC(C)NCC1CCCCC1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is PQDKXJNQJNCHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-15(3)11-12(2)14-10-13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-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 2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103109993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).