1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine

C13H28N2O — CID 114762995

IUPAC1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CC)CCOC)CC1
InChIInChI=1S/C13H28N2O/c1-4-14-12-6-8-13(9-7-12)15(5-2)10-11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyYJQWDOFCJBGJAF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine

1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine (PubChem CID 114762995) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
PubChem CID114762995
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CC)CCOC)CC1
InChIInChI=1S/C13H28N2O/c1-4-14-12-6-8-13(9-7-12)15(5-2)10-11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyYJQWDOFCJBGJAF-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078
N-ethyl-N-(2-methoxyethyl)bicyclo[3.1.0]hexan-3-amine
CID 144866247
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine (CID 114762995) is 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine is CCNC1CCC(N(CC)CCOC)CC1.
What is the InChIKey of 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine?
The InChIKey is YJQWDOFCJBGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-14-12-6-8-13(9-7-12)15(5-2)10-11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine?
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114762995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).