3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine

C15H32N2O — CID 103224985

IUPAC3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H32N2O/c1-5-10-16-11-15(12-18-4)17(3)14-8-6-13(2)7-9-14/h13-16H,5-12H2,1-4H3
InChIKeyKOEARZYXLMCRJI-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine

3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine (PubChem CID 103224985) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
PubChem CID103224985
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H32N2O/c1-5-10-16-11-15(12-18-4)17(3)14-8-6-13(2)7-9-14/h13-16H,5-12H2,1-4H3
InChIKeyKOEARZYXLMCRJI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226991
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
CID 55069274
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
CID 83054828
3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103226561
2-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225536
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883
1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
CID 61437207
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine (CID 103224985) is 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine is CCCNCC(COC)N(C)C1CCC(C)CC1.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine?
The InChIKey is KOEARZYXLMCRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-10-16-11-15(12-18-4)17(3)14-8-6-13(2)7-9-14/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-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-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103224985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).