5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine

C22H28N2 — CID 167853018

IUPAC5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine
SMILESCC1CC(Nc2ccc(C3CCC3)cn2)CC(c2ccccc2)C1
InChIInChI=1S/C22H28N2/c1-16-12-20(18-6-3-2-4-7-18)14-21(13-16)24-22-11-10-19(15-23-22)17-8-5-9-17/h2-4,6-7,10-11,15-17,20-21H,5,8-9,12-14H2,1H3,(H,23,24)
InChIKeyBBKHZGRQKZEZEC-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.73
Rot. Bonds4

About 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine

5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine (PubChem CID 167853018) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine
PubChem CID167853018
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine
SMILESCC1CC(Nc2ccc(C3CCC3)cn2)CC(c2ccccc2)C1
InChIInChI=1S/C22H28N2/c1-16-12-20(18-6-3-2-4-7-18)14-21(13-16)24-22-11-10-19(15-23-22)17-8-5-9-17/h2-4,6-7,10-11,15-17,20-21H,5,8-9,12-14H2,1H3,(H,23,24)
InChIKeyBBKHZGRQKZEZEC-UHFFFAOYSA-N
XLogP5.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine?
The IUPAC name of 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine (CID 167853018) is 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine is CC1CC(Nc2ccc(C3CCC3)cn2)CC(c2ccccc2)C1.
What is the InChIKey of 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine?
The InChIKey is BBKHZGRQKZEZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-16-12-20(18-6-3-2-4-7-18)14-21(13-16)24-22-11-10-19(15-23-22)17-8-5-9-17/h2-4,6-7,10-11,15-17,20-21H,5,8-9,12-14H2,1H3,(H,23,24).
What are the key properties of 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine?
5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine has a molecular weight of 320.48 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-(3-methyl-5-phenylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 167853018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).