N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine

C14H30N2 — CID 79092545

IUPACN-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)C1CCC(CC)CC1
InChIInChI=1S/C14H30N2/c1-5-12-7-9-13(10-8-12)14(15-6-2)11-16(3)4/h12-15H,5-11H2,1-4H3
InChIKeyBPEMCQAJCCWEEE-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine

N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79092545) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79092545
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)C1CCC(CC)CC1
InChIInChI=1S/C14H30N2/c1-5-12-7-9-13(10-8-12)14(15-6-2)11-16(3)4/h12-15H,5-11H2,1-4H3
InChIKeyBPEMCQAJCCWEEE-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

Analyze N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
N-ethyl-1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575007
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
CID 65394787
1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63913206
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-4-ylethanamine
CID 64774213
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285
N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
CID 105155241
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine (CID 79092545) is N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)C1CCC(CC)CC1.
What is the InChIKey of N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BPEMCQAJCCWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-12-7-9-13(10-8-12)14(15-6-2)11-16(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-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 N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79092545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).