N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine

C15H24N2O — CID 64734172

IUPACN-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H24N2O/c1-4-18-15-14(6-5-9-16-15)17-13-8-7-11(2)12(3)10-13/h5-6,9,11-13,17H,4,7-8,10H2,1-3H3
InChIKeyGFJRGAYULYWJGO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.72
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine

N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine (PubChem CID 64734172) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
PubChem CID64734172
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H24N2O/c1-4-18-15-14(6-5-9-16-15)17-13-8-7-11(2)12(3)10-13/h5-6,9,11-13,17H,4,7-8,10H2,1-3H3
InChIKeyGFJRGAYULYWJGO-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine (CID 64734172) is N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine is CCOc1ncccc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine?
The InChIKey is GFJRGAYULYWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-15-14(6-5-9-16-15)17-13-8-7-11(2)12(3)10-13/h5-6,9,11-13,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine?
N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 64734172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).