1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine

C14H30N2 — CID 115346285

IUPAC1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCCC1CCC(C(CCN(C)C)NC)CC1
InChIInChI=1S/C14H30N2/c1-5-12-6-8-13(9-7-12)14(15-2)10-11-16(3)4/h12-15H,5-11H2,1-4H3
InChIKeyJVPXVKOVJKWSGO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346285) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346285
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCCC1CCC(C(CCN(C)C)NC)CC1
InChIInChI=1S/C14H30N2/c1-5-12-6-8-13(9-7-12)14(15-2)10-11-16(3)4/h12-15H,5-11H2,1-4H3
InChIKeyJVPXVKOVJKWSGO-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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2-[(Dimethylamino)methyl]cyclohexan-1-amine
CID 23009040
(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine;hydrochloride
CID 90674839
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 115346285) is 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine is CCC1CCC(C(CCN(C)C)NC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is JVPXVKOVJKWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-12-6-8-13(9-7-12)14(15-2)10-11-16(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).