[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine

C15H24N2 — CID 117021515

IUPAC[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
SMILESCc1cccc(N2CC(CN)CCC2(C)C)c1
InChIInChI=1S/C15H24N2/c1-12-5-4-6-14(9-12)17-11-13(10-16)7-8-15(17,2)3/h4-6,9,13H,7-8,10-11,16H2,1-3H3
InChIKeyXQPUYMCPNJWLJQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds2

About [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine

[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine (PubChem CID 117021515) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
PubChem CID117021515
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
SMILESCc1cccc(N2CC(CN)CCC2(C)C)c1
InChIInChI=1S/C15H24N2/c1-12-5-4-6-14(9-12)17-11-13(10-16)7-8-15(17,2)3/h4-6,9,13H,7-8,10-11,16H2,1-3H3
InChIKeyXQPUYMCPNJWLJQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5,5-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117018606
6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one
CID 117020919
[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 117017725
[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018785
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
CID 115041666
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 82506704
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119485152
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
4-(aminomethyl)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105470065
[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
CID 117020618
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine?
The IUPAC name of [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine (CID 117021515) is [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine is Cc1cccc(N2CC(CN)CCC2(C)C)c1.
What is the InChIKey of [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine?
The InChIKey is XQPUYMCPNJWLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-5-4-6-14(9-12)17-11-13(10-16)7-8-15(17,2)3/h4-6,9,13H,7-8,10-11,16H2,1-3H3.
What are the key properties of [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine?
[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 117021515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).