N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine

C21H28N2 — CID 166382105

IUPACN-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine
SMILESCC1CC(Nc2ccc(C(C)C)nc2)CC(c2ccccc2)C1
InChIInChI=1S/C21H28N2/c1-15(2)21-10-9-19(14-22-21)23-20-12-16(3)11-18(13-20)17-7-5-4-6-8-17/h4-10,14-16,18,20,23H,11-13H2,1-3H3
InChIKeyWAFIBZMQGDEERJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.59
Rot. Bonds4

About N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine

N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine (PubChem CID 166382105) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine
PubChem CID166382105
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine
SMILESCC1CC(Nc2ccc(C(C)C)nc2)CC(c2ccccc2)C1
InChIInChI=1S/C21H28N2/c1-15(2)21-10-9-19(14-22-21)23-20-12-16(3)11-18(13-20)17-7-5-4-6-8-17/h4-10,14-16,18,20,23H,11-13H2,1-3H3
InChIKeyWAFIBZMQGDEERJ-UHFFFAOYSA-N
XLogP5.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine?
The IUPAC name of N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine (CID 166382105) is N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine.
What is the SMILES notation for N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine?
The canonical SMILES for N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine is CC1CC(Nc2ccc(C(C)C)nc2)CC(c2ccccc2)C1.
What is the InChIKey of N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine?
The InChIKey is WAFIBZMQGDEERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-15(2)21-10-9-19(14-22-21)23-20-12-16(3)11-18(13-20)17-7-5-4-6-8-17/h4-10,14-16,18,20,23H,11-13H2,1-3H3.
What are the key properties of N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine?
N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine has a molecular weight of 308.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-phenylcyclohexyl)-6-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 166382105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).