3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine

C13H28N2O — CID 62535497

IUPAC3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
SMILESCOCC(C)(CN)N(C)C1CCCC(C)C1
InChIInChI=1S/C13H28N2O/c1-11-6-5-7-12(8-11)15(3)13(2,9-14)10-16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyXCFOBJGSKUDQLC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds5

About 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine

3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine (PubChem CID 62535497) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
PubChem CID62535497
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
SMILESCOCC(C)(CN)N(C)C1CCCC(C)C1
InChIInChI=1S/C13H28N2O/c1-11-6-5-7-12(8-11)15(3)13(2,9-14)10-16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyXCFOBJGSKUDQLC-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62535108
2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 64917822
2-N-cyclopropyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62537022
2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 115882663
2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 115002693
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 62861289
N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
CID 77110311
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
CID 81088861

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine (CID 62535497) is 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine is COCC(C)(CN)N(C)C1CCCC(C)C1.
What is the InChIKey of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine?
The InChIKey is XCFOBJGSKUDQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-6-5-7-12(8-11)15(3)13(2,9-14)10-16-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine?
3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 62535497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).