1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C18H30N2 — CID 79065290

IUPAC1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(C)cc(C)c1)N1CCCCC1
InChIInChI=1S/C18H30N2/c1-5-18(4,20-9-7-6-8-10-20)17(19)16-12-14(2)11-15(3)13-16/h11-13,17H,5-10,19H2,1-4H3
InChIKeyNYFDNBXVYPSTDU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.96
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79065290) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79065290
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(C)cc(C)c1)N1CCCCC1
InChIInChI=1S/C18H30N2/c1-5-18(4,20-9-7-6-8-10-20)17(19)16-12-14(2)11-15(3)13-16/h11-13,17H,5-10,19H2,1-4H3
InChIKeyNYFDNBXVYPSTDU-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
[1-(3,5-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241209
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106881723
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578
[1-(3-fluoro-5-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241230
3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine
CID 79069493
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 79060679
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 79065290) is 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)c1cc(C)cc(C)c1)N1CCCCC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is NYFDNBXVYPSTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18(4,20-9-7-6-8-10-20)17(19)16-12-14(2)11-15(3)13-16/h11-13,17H,5-10,19H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).