[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine

C17H34N2 — CID 81320901

IUPAC[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCCC1CCCN(C2(CN)CCC(C)(C)CC2C)C1
InChIInChI=1S/C17H34N2/c1-5-15-7-6-10-19(12-15)17(13-18)9-8-16(3,4)11-14(17)2/h14-15H,5-13,18H2,1-4H3
InChIKeyZKIPUJCGQPPXSN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine

[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine (PubChem CID 81320901) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
PubChem CID81320901
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCCC1CCCN(C2(CN)CCC(C)(C)CC2C)C1
InChIInChI=1S/C17H34N2/c1-5-15-7-6-10-19(12-15)17(13-18)9-8-16(3,4)11-14(17)2/h14-15H,5-13,18H2,1-4H3
InChIKeyZKIPUJCGQPPXSN-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
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
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43584395
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 81320897
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 81320979
[1-(4-butan-2-ylpiperazin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81303249
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
[2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 106586356
[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853766
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320825

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine (CID 81320901) is [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine is CCC1CCCN(C2(CN)CCC(C)(C)CC2C)C1.
What is the InChIKey of [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The InChIKey is ZKIPUJCGQPPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-15-7-6-10-19(12-15)17(13-18)9-8-16(3,4)11-14(17)2/h14-15H,5-13,18H2,1-4H3.
What are the key properties of [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 81320901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).