2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine

C18H28N2 — CID 83010056

IUPAC2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
SMILESCc1cccc(C2CC(NN3C(C)CCCC3C)C2)c1
InChIInChI=1S/C18H28N2/c1-13-6-4-9-16(10-13)17-11-18(12-17)19-20-14(2)7-5-8-15(20)3/h4,6,9-10,14-15,17-19H,5,7-8,11-12H2,1-3H3
InChIKeyQPQYIVNZPUPMKC-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.01
Rot. Bonds3

About 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine

2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine (PubChem CID 83010056) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
PubChem CID83010056
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
SMILESCc1cccc(C2CC(NN3C(C)CCCC3C)C2)c1
InChIInChI=1S/C18H28N2/c1-13-6-4-9-16(10-13)17-11-18(12-17)19-20-14(2)7-5-8-15(20)3/h4,6,9-10,14-15,17-19H,5,7-8,11-12H2,1-3H3
InChIKeyQPQYIVNZPUPMKC-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine (CID 83010056) is 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine is Cc1cccc(C2CC(NN3C(C)CCCC3C)C2)c1.
What is the InChIKey of 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine?
The InChIKey is QPQYIVNZPUPMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-6-4-9-16(10-13)17-11-18(12-17)19-20-14(2)7-5-8-15(20)3/h4,6,9-10,14-15,17-19H,5,7-8,11-12H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine?
2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine is sourced from PubChem (CID 83010056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).