4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine

C16H18N2 — CID 63329771

IUPAC4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine
SMILESCc1ccncc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C16H18N2/c1-12-7-8-17-11-16(12)18-15-9-14(10-15)13-5-3-2-4-6-13/h2-8,11,14-15,18H,9-10H2,1H3
InChIKeyXLSYRASWIOEJFQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.75
Rot. Bonds3

About 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine

4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine (PubChem CID 63329771) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine
PubChem CID63329771
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine
SMILESCc1ccncc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C16H18N2/c1-12-7-8-17-11-16(12)18-15-9-14(10-15)13-5-3-2-4-6-13/h2-8,11,14-15,18H,9-10H2,1H3
InChIKeyXLSYRASWIOEJFQ-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine?
The IUPAC name of 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine (CID 63329771) is 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine?
The canonical SMILES for 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine is Cc1ccncc1NC1CC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine?
The InChIKey is XLSYRASWIOEJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-7-8-17-11-16(12)18-15-9-14(10-15)13-5-3-2-4-6-13/h2-8,11,14-15,18H,9-10H2,1H3.
What are the key properties of 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine?
4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine is sourced from PubChem (CID 63329771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).