[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine

C16H32N2O — CID 107391476

IUPAC[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine
SMILESCOC1(C)CCCN(C2(CN)CCCC(C)(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)7-5-9-16(11-14,12-17)18-10-6-8-15(3,13-18)19-4/h5-13,17H2,1-4H3
InChIKeyNMHLCGCJWARNRG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds3

About [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine

[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine (PubChem CID 107391476) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine
PubChem CID107391476
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine
SMILESCOC1(C)CCCN(C2(CN)CCCC(C)(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)7-5-9-16(11-14,12-17)18-10-6-8-15(3,13-18)19-4/h5-13,17H2,1-4H3
InChIKeyNMHLCGCJWARNRG-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-3-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 107391366
[1-(3-methoxy-3-methylazetidin-1-yl)cyclobutyl]methanamine
CID 130964277
[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
CID 106586385
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[3-(3-methoxy-3-methylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
CID 107391225
[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958923
spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-ylmethanamine
CID 118121133
[1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 107391361
[2-ethyl-1-(3-methoxy-3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 107391328
[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 107391109
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine (CID 107391476) is [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine is COC1(C)CCCN(C2(CN)CCCC(C)(C)C2)C1.
What is the InChIKey of [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine?
The InChIKey is NMHLCGCJWARNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)7-5-9-16(11-14,12-17)18-10-6-8-15(3,13-18)19-4/h5-13,17H2,1-4H3.
What are the key properties of [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine?
[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 107391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).