[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine

C16H32N2O — CID 106586385

IUPAC[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
SMILESCOCC1CCCN(C2(CN)CCCC(C)(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-15(2)7-5-8-16(12-15,13-17)18-9-4-6-14(10-18)11-19-3/h14H,4-13,17H2,1-3H3
InChIKeyCQZFYHDLLBOKEG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds4

About [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine

[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine (PubChem CID 106586385) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
PubChem CID106586385
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
SMILESCOCC1CCCN(C2(CN)CCCC(C)(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-15(2)7-5-8-16(12-15,13-17)18-9-4-6-14(10-18)11-19-3/h14H,4-13,17H2,1-3H3
InChIKeyCQZFYHDLLBOKEG-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
CID 64569292
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682
[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199474
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine
CID 107391476
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylcyclohexyl]methanamine
CID 79932848
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
[2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 106586356

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine (CID 106586385) is [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine is COCC1CCCN(C2(CN)CCCC(C)(C)C2)C1.
What is the InChIKey of [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine?
The InChIKey is CQZFYHDLLBOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)7-5-8-16(12-15,13-17)18-9-4-6-14(10-18)11-19-3/h14H,4-13,17H2,1-3H3.
What are the key properties of [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine?
[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 106586385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).