1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine

C16H26N2 — CID 117021094

IUPAC1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
SMILESCNC1CCC(C)(C)N(c2ccc(C)cc2C)C1
InChIInChI=1S/C16H26N2/c1-12-6-7-15(13(2)10-12)18-11-14(17-5)8-9-16(18,3)4/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeyAPFXCMCMRGSALS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.27
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine

1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine (PubChem CID 117021094) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
PubChem CID117021094
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
SMILESCNC1CCC(C)(C)N(c2ccc(C)cc2C)C1
InChIInChI=1S/C16H26N2/c1-12-6-7-15(13(2)10-12)18-11-14(17-5)8-9-16(18,3)4/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeyAPFXCMCMRGSALS-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017096
1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-[1-(2-bromo-4-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117018975
[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018900
methyl 1-(2,4-dimethylphenyl)aziridine-2-carboxylate
CID 117009891
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
4-(2,4-dimethylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 3844362
1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
CID 64925997

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine (CID 117021094) is 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine is CNC1CCC(C)(C)N(c2ccc(C)cc2C)C1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine?
The InChIKey is APFXCMCMRGSALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-7-15(13(2)10-12)18-11-14(17-5)8-9-16(18,3)4/h6-7,10,14,17H,8-9,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine?
1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine is sourced from PubChem (CID 117021094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).