3-(5-methylfuran-2-yl)propan-1-amine

C8H13NO — CID 12920834

IUPAC3-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(CCCN)o1
InChIInChI=1S/C8H13NO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyYLPDLVDYVUPWLM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.48
Rot. Bonds3

About 3-(5-methylfuran-2-yl)propan-1-amine

3-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 12920834) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)propan-1-amine
PubChem CID12920834
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(CCCN)o1
InChIInChI=1S/C8H13NO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyYLPDLVDYVUPWLM-UHFFFAOYSA-N
XLogP1.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-(5-methylfuran-2-yl)propan-1-amine (CID 12920834) is 3-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-methylfuran-2-yl)propan-1-amine is Cc1ccc(CCCN)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is YLPDLVDYVUPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6,9H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)propan-1-amine?
3-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 12920834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).