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

C14H22N2O — CID 81254419

IUPACN-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCNCc1cnccc1OC1CCCC(C)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-13(8-11)17-14-6-7-16-10-12(14)9-15-2/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3
InChIKeyBHIIWDIOCBIWRR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds4

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

N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine (PubChem CID 81254419) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine
PubChem CID81254419
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCNCc1cnccc1OC1CCCC(C)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-13(8-11)17-14-6-7-16-10-12(14)9-15-2/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3
InChIKeyBHIIWDIOCBIWRR-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-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine (CID 81254419) is N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine is CNCc1cnccc1OC1CCCC(C)C1.
What is the InChIKey of N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The InChIKey is BHIIWDIOCBIWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-5-13(8-11)17-14-6-7-16-10-12(14)9-15-2/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
N-methyl-1-[4-(3-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-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 81254419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).