1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine

C15H31NO — CID 116718955

IUPAC1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-6-7-14(17-5)15(16-4)13-9-8-11(2)12(3)10-13/h11-16H,6-10H2,1-5H3
InChIKeyZIFNOJWCUGRQNY-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine

1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine (PubChem CID 116718955) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
PubChem CID116718955
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-6-7-14(17-5)15(16-4)13-9-8-11(2)12(3)10-13/h11-16H,6-10H2,1-5H3
InChIKeyZIFNOJWCUGRQNY-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215467
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215472
N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215474
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475520
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475793
2-methoxy-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165661
N-[2-propan-2-yloxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105168106
N-ethyl-2-propan-2-yloxy-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168251
N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168281
N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 113688292
N-methyl-2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 113688304
1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine
CID 114224936

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine (CID 116718955) is 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine?
The InChIKey is ZIFNOJWCUGRQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-7-14(17-5)15(16-4)13-9-8-11(2)12(3)10-13/h11-16H,6-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine?
1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 116718955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).