1-(furan-3-yl)-2-methylpropan-1-amine

C8H13NO — CID 63948567

IUPAC1-(furan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccoc1
InChIInChI=1S/C8H13NO/c1-6(2)8(9)7-3-4-10-5-7/h3-6,8H,9H2,1-2H3
InChIKeyYXKNHVDHEMUHQT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.94
Rot. Bonds2

About 1-(furan-3-yl)-2-methylpropan-1-amine

1-(furan-3-yl)-2-methylpropan-1-amine (PubChem CID 63948567) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-methylpropan-1-amine
PubChem CID63948567
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(furan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccoc1
InChIInChI=1S/C8H13NO/c1-6(2)8(9)7-3-4-10-5-7/h3-6,8H,9H2,1-2H3
InChIKeyYXKNHVDHEMUHQT-UHFFFAOYSA-N
XLogP1.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(furan-3-yl)-2-methylpropan-1-amine (CID 63948567) is 1-(furan-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(furan-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(furan-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-methylpropan-1-amine?
The InChIKey is YXKNHVDHEMUHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)8(9)7-3-4-10-5-7/h3-6,8H,9H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-2-methylpropan-1-amine?
1-(furan-3-yl)-2-methylpropan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 63948567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).