5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine

C14H22N2O — CID 114342980

IUPAC5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine
SMILESCNc1cncc(OC2CCC(C)(C)CC2)c1
InChIInChI=1S/C14H22N2O/c1-14(2)6-4-12(5-7-14)17-13-8-11(15-3)9-16-10-13/h8-10,12,15H,4-7H2,1-3H3
InChIKeyAVRYQDARWCHMAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds3

About 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine

5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine (PubChem CID 114342980) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine
PubChem CID114342980
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine
SMILESCNc1cncc(OC2CCC(C)(C)CC2)c1
InChIInChI=1S/C14H22N2O/c1-14(2)6-4-12(5-7-14)17-13-8-11(15-3)9-16-10-13/h8-10,12,15H,4-7H2,1-3H3
InChIKeyAVRYQDARWCHMAY-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine?
The IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine (CID 114342980) is 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine.
What is the SMILES notation for 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine?
The canonical SMILES for 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine is CNc1cncc(OC2CCC(C)(C)CC2)c1.
What is the InChIKey of 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine?
The InChIKey is AVRYQDARWCHMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)6-4-12(5-7-14)17-13-8-11(15-3)9-16-10-13/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine?
5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylcyclohexyl)oxy-N-methylpyridin-3-amine is sourced from PubChem (CID 114342980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).