3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine

C18H22N2 — CID 62997224

IUPAC3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccc(C)nc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-13-3-7-16(8-4-13)17-9-18(10-17)20-12-15-6-5-14(2)19-11-15/h3-8,11,17-18,20H,9-10,12H2,1-2H3
InChIKeyPHERJQNMKWPDDE-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.73
Rot. Bonds4

About 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine

3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 62997224) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID62997224
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccc(C)nc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-13-3-7-16(8-4-13)17-9-18(10-17)20-12-15-6-5-14(2)19-11-15/h3-8,11,17-18,20H,9-10,12H2,1-2H3
InChIKeyPHERJQNMKWPDDE-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine (CID 62997224) is 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine is Cc1ccc(C2CC(NCc3ccc(C)nc3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is PHERJQNMKWPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-3-7-16(8-4-13)17-9-18(10-17)20-12-15-6-5-14(2)19-11-15/h3-8,11,17-18,20H,9-10,12H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 62997224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).