N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine

C14H22N2O — CID 63984101

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine
SMILESCOc1cccc(CNC2(C)CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-14(9-4-3-5-10-14)15-11-12-7-6-8-13(16-12)17-2/h6-8,15H,3-5,9-11H2,1-2H3
InChIKeyDZLJOIKOXWLKKD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.90
Rot. Bonds4

About N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine

N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 63984101) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine
PubChem CID63984101
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine
SMILESCOc1cccc(CNC2(C)CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-14(9-4-3-5-10-14)15-11-12-7-6-8-13(16-12)17-2/h6-8,15H,3-5,9-11H2,1-2H3
InChIKeyDZLJOIKOXWLKKD-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine (CID 63984101) is N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine is COc1cccc(CNC2(C)CCCCC2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is DZLJOIKOXWLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(9-4-3-5-10-14)15-11-12-7-6-8-13(16-12)17-2/h6-8,15H,3-5,9-11H2,1-2H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 63984101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).