N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine

C15H24N2O — CID 60859005

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOc1ncccc1CNC1C(C)CCCC1C
InChIInChI=1S/C15H24N2O/c1-11-6-4-7-12(2)14(11)17-10-13-8-5-9-16-15(13)18-3/h5,8-9,11-12,14,17H,4,6-7,10H2,1-3H3
InChIKeyNZFJGXKKJXQGLY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 60859005) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID60859005
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOc1ncccc1CNC1C(C)CCCC1C
InChIInChI=1S/C15H24N2O/c1-11-6-4-7-12(2)14(11)17-10-13-8-5-9-16-15(13)18-3/h5,8-9,11-12,14,17H,4,6-7,10H2,1-3H3
InChIKeyNZFJGXKKJXQGLY-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine (CID 60859005) is N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine is COc1ncccc1CNC1C(C)CCCC1C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is NZFJGXKKJXQGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-4-7-12(2)14(11)17-10-13-8-5-9-16-15(13)18-3/h5,8-9,11-12,14,17H,4,6-7,10H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 60859005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).