[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine

C16H32N2 — CID 64761359

IUPAC[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCCC(C)C2C)C(C)C1
InChIInChI=1S/C16H32N2/c1-12-7-8-16(11-17,14(3)10-12)18-9-5-6-13(2)15(18)4/h12-15H,5-11,17H2,1-4H3
InChIKeyGHQVQJYEMZKXPI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds2

About [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine

[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine (PubChem CID 64761359) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine
PubChem CID64761359
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCCC(C)C2C)C(C)C1
InChIInChI=1S/C16H32N2/c1-12-7-8-16(11-17,14(3)10-12)18-9-5-6-13(2)15(18)4/h12-15H,5-11,17H2,1-4H3
InChIKeyGHQVQJYEMZKXPI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dimethylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 55040418
[2,4-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64761550
[2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
CID 64760134
[1-(4-ethylpiperazin-1-yl)-2,4-dimethylcyclohexyl]methanamine
CID 64760736
[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine
CID 62124065
[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65090041
[3-(2,3-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 62124600
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
[2,5-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64760563
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 65319468
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64762335
[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
CID 125452405

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine (CID 64761359) is [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine is CC1CCC(CN)(N2CCCC(C)C2C)C(C)C1.
What is the InChIKey of [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine?
The InChIKey is GHQVQJYEMZKXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-7-8-16(11-17,14(3)10-12)18-9-5-6-13(2)15(18)4/h12-15H,5-11,17H2,1-4H3.
What are the key properties of [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine?
[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 64761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).