N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine

C14H30N2 — CID 62413248

IUPACN-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)CN(C)CC1CCCCC1
InChIInChI=1S/C14H30N2/c1-4-15-10-13(2)11-16(3)12-14-8-6-5-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyXKZCPJNNBLNNQL-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

About N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine

N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine (PubChem CID 62413248) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
PubChem CID62413248
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)CN(C)CC1CCCCC1
InChIInChI=1S/C14H30N2/c1-4-15-10-13(2)11-16(3)12-14-8-6-5-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyXKZCPJNNBLNNQL-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 63656930
N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179
3-cyclopentyl-N-ethyl-2-methylpropan-1-amine
CID 62528074
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
CID 64994702
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62430661
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
N-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine (CID 62413248) is N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine is CCNCC(C)CN(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine?
The InChIKey is XKZCPJNNBLNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-15-10-13(2)11-16(3)12-14-8-6-5-7-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine?
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62413248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).