N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine

C13H20N2O — CID 115922171

IUPACN-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ccc(NC(C)C2CC2)cn1
InChIInChI=1S/C13H20N2O/c1-9(2)16-13-7-6-12(8-14-13)15-10(3)11-4-5-11/h6-11,15H,4-5H2,1-3H3
InChIKeyJVFRWJGUQGRVGL-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.08
Rot. Bonds5

About N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine

N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine (PubChem CID 115922171) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
PubChem CID115922171
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ccc(NC(C)C2CC2)cn1
InChIInChI=1S/C13H20N2O/c1-9(2)16-13-7-6-12(8-14-13)15-10(3)11-4-5-11/h6-11,15H,4-5H2,1-3H3
InChIKeyJVFRWJGUQGRVGL-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine (CID 115922171) is N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine is CC(C)Oc1ccc(NC(C)C2CC2)cn1.
What is the InChIKey of N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine?
The InChIKey is JVFRWJGUQGRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)16-13-7-6-12(8-14-13)15-10(3)11-4-5-11/h6-11,15H,4-5H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine?
N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 115922171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).