2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine

C15H32N2O — CID 103226991

IUPAC2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCNCC(COC)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-6-16-11-14(12-18-5)17(4)13-7-9-15(2,3)10-8-13/h13-14,16H,6-12H2,1-5H3
InChIKeyBRLCZYRGOSQYCD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine

2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 103226991) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID103226991
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCNCC(COC)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-6-16-11-14(12-18-5)17(4)13-7-9-15(2,3)10-8-13/h13-14,16H,6-12H2,1-5H3
InChIKeyBRLCZYRGOSQYCD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227279
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226992
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
CID 103226975
2-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225536
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011652
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225819
3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103227138
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine (CID 103226991) is 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine is CCNCC(COC)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is BRLCZYRGOSQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-16-11-14(12-18-5)17(4)13-7-9-15(2,3)10-8-13/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103226991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).