N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine

C14H22N2O — CID 62290124

IUPACN-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCNCc1cccnc1OC1CCC(C)CC1
InChIInChI=1S/C14H22N2O/c1-11-5-7-13(8-6-11)17-14-12(10-15-2)4-3-9-16-14/h3-4,9,11,13,15H,5-8,10H2,1-2H3
InChIKeyPFWZYJFVXJSJKW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine

N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine (PubChem CID 62290124) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
PubChem CID62290124
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCNCc1cccnc1OC1CCC(C)CC1
InChIInChI=1S/C14H22N2O/c1-11-5-7-13(8-6-11)17-14-12(10-15-2)4-3-9-16-14/h3-4,9,11,13,15H,5-8,10H2,1-2H3
InChIKeyPFWZYJFVXJSJKW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine (CID 62290124) is N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine is CNCc1cccnc1OC1CCC(C)CC1.
What is the InChIKey of N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The InChIKey is PFWZYJFVXJSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-7-13(8-6-11)17-14-12(10-15-2)4-3-9-16-14/h3-4,9,11,13,15H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 62290124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).