[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine

C16H32N2 — CID 81320897

IUPAC[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCCCN1C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H32N2/c1-13-11-15(3,4)8-9-16(13,12-17)18-10-6-5-7-14(18)2/h13-14H,5-12,17H2,1-4H3
InChIKeyKWQHJAOZDFRUME-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds2

About [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine

[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 81320897) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID81320897
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCCCN1C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H32N2/c1-13-11-15(3,4)8-9-16(13,12-17)18-10-6-5-7-14(18)2/h13-14H,5-12,17H2,1-4H3
InChIKeyKWQHJAOZDFRUME-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 81320512
[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321625
[2,5-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64760563
[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321303
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320901
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 81320979
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 106821667
[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
CID 79847388
[1-(4-butan-2-ylpiperazin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81303249
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43080296

Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine (CID 81320897) is [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine is CC1CCCCN1C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is KWQHJAOZDFRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-11-15(3,4)8-9-16(13,12-17)18-10-6-5-7-14(18)2/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81320897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).