4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine

C18H38N2O — CID 63467792

IUPAC4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(CC)CC1N(CCOC)CC(C)C
InChIInChI=1S/C18H38N2O/c1-6-10-19-17-9-8-16(7-2)13-18(17)20(11-12-21-5)14-15(3)4/h15-19H,6-14H2,1-5H3
InChIKeyJHIWGPYSOSMLRW-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds10

About 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine

4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63467792) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID63467792
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(CC)CC1N(CCOC)CC(C)C
InChIInChI=1S/C18H38N2O/c1-6-10-19-17-9-8-16(7-2)13-18(17)20(11-12-21-5)14-15(3)4/h15-19H,6-14H2,1-5H3
InChIKeyJHIWGPYSOSMLRW-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-diethyl-2-N-(2-ethylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63468498
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 63983791
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497
1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79476839
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
2-[[ethyl(2-methoxyethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63495212
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine (CID 63467792) is 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(CC)CC1N(CCOC)CC(C)C.
What is the InChIKey of 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is JHIWGPYSOSMLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-10-19-17-9-8-16(7-2)13-18(17)20(11-12-21-5)14-15(3)4/h15-19H,6-14H2,1-5H3.
What are the key properties of 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).