4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine

C8H16N2O — CID 146580581

IUPAC4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESCC(C)OC1=CCNCC1N
InChIInChI=1S/C8H16N2O/c1-6(2)11-8-3-4-10-5-7(8)9/h3,6-7,10H,4-5,9H2,1-2H3
InChIKeyQIHJPGNRBAGVPN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.23
Rot. Bonds2

About 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine

4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 146580581) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID146580581
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESCC(C)OC1=CCNCC1N
InChIInChI=1S/C8H16N2O/c1-6(2)11-8-3-4-10-5-7(8)9/h3,6-7,10H,4-5,9H2,1-2H3
InChIKeyQIHJPGNRBAGVPN-UHFFFAOYSA-N
XLogP0.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine (CID 146580581) is 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine is CC(C)OC1=CCNCC1N.
What is the InChIKey of 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is QIHJPGNRBAGVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)11-8-3-4-10-5-7(8)9/h3,6-7,10H,4-5,9H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine?
4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 156.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 146580581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).