3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine

C15H32N2O — CID 79618497

IUPAC3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(CCOC)CC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-5-16-14-7-6-8-15(11-14)17(9-10-18-4)12-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyCNSGVGRQOKVVTN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine

3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine (PubChem CID 79618497) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
PubChem CID79618497
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(CCOC)CC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-5-16-14-7-6-8-15(11-14)17(9-10-18-4)12-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyCNSGVGRQOKVVTN-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445
4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 114763130
1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
CID 79618827
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62553966

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine (CID 79618497) is 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine is CCNC1CCCC(N(CCOC)CC(C)C)C1.
What is the InChIKey of 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine?
The InChIKey is CNSGVGRQOKVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-16-14-7-6-8-15(11-14)17(9-10-18-4)12-13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine?
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79618497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).