3-propan-2-yl-2H-pyran-2-amine

C8H13NO — CID 150481408

IUPAC3-propan-2-yl-2H-pyran-2-amine
SMILESCC(C)C1=CC=COC1N
InChIInChI=1S/C8H13NO/c1-6(2)7-4-3-5-10-8(7)9/h3-6,8H,9H2,1-2H3
InChIKeyHTWOXNDPHNIVHE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.40
Rot. Bonds1

About 3-propan-2-yl-2H-pyran-2-amine

3-propan-2-yl-2H-pyran-2-amine (PubChem CID 150481408) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-propan-2-yl-2H-pyran-2-amine.

Molecular Properties

Compound Name3-propan-2-yl-2H-pyran-2-amine
PubChem CID150481408
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-propan-2-yl-2H-pyran-2-amine
SMILESCC(C)C1=CC=COC1N
InChIInChI=1S/C8H13NO/c1-6(2)7-4-3-5-10-8(7)9/h3-6,8H,9H2,1-2H3
InChIKeyHTWOXNDPHNIVHE-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-pyran-2-amine?
The IUPAC name of 3-propan-2-yl-2H-pyran-2-amine (CID 150481408) is 3-propan-2-yl-2H-pyran-2-amine.
What is the SMILES notation for 3-propan-2-yl-2H-pyran-2-amine?
The canonical SMILES for 3-propan-2-yl-2H-pyran-2-amine is CC(C)C1=CC=COC1N.
What is the InChIKey of 3-propan-2-yl-2H-pyran-2-amine?
The InChIKey is HTWOXNDPHNIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)7-4-3-5-10-8(7)9/h3-6,8H,9H2,1-2H3.
What are the key properties of 3-propan-2-yl-2H-pyran-2-amine?
3-propan-2-yl-2H-pyran-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-pyran-2-amine is sourced from PubChem (CID 150481408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).