5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine

C17H28N2 — CID 60960720

IUPAC5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc(CNC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C17H28N2/c1-12(2)16-9-8-13(3)10-17(16)18-11-15-7-5-6-14(4)19-15/h5-7,12-13,16-18H,8-11H2,1-4H3
InChIKeyXZYSKBJMMUTWLA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.94
Rot. Bonds4

About 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 60960720) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID60960720
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc(CNC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C17H28N2/c1-12(2)16-9-8-13(3)10-17(16)18-11-15-7-5-6-14(4)19-15/h5-7,12-13,16-18H,8-11H2,1-4H3
InChIKeyXZYSKBJMMUTWLA-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine (CID 60960720) is 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine is Cc1cccc(CNC2CC(C)CCC2C(C)C)n1.
What is the InChIKey of 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is XZYSKBJMMUTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)16-9-8-13(3)10-17(16)18-11-15-7-5-6-14(4)19-15/h5-7,12-13,16-18H,8-11H2,1-4H3.
What are the key properties of 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 60960720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).