2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

C16H34N2O — CID 62611562

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC(C)N(CCOC)CC1CC(C)CCC1NC
InChIInChI=1S/C16H34N2O/c1-6-14(3)18(9-10-19-5)12-15-11-13(2)7-8-16(15)17-4/h13-17H,6-12H2,1-5H3
InChIKeyITWGWQBNWJJSBH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62611562) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62611562
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC(C)N(CCOC)CC1CC(C)CCC1NC
InChIInChI=1S/C16H34N2O/c1-6-14(3)18(9-10-19-5)12-15-11-13(2)7-8-16(15)17-4/h13-17H,6-12H2,1-5H3
InChIKeyITWGWQBNWJJSBH-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
2-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704719
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62611467
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55106257
N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine
CID 62104395
2-[[cyclopropyl(propyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62615565
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388
2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 63495552
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55093831

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (CID 62611562) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is CCC(C)N(CCOC)CC1CC(C)CCC1NC.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is ITWGWQBNWJJSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-14(3)18(9-10-19-5)12-15-11-13(2)7-8-16(15)17-4/h13-17H,6-12H2,1-5H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62611562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).