2-methyl-3H-furan-2-amine

C5H9NO — CID 53420168

IUPAC2-methyl-3H-furan-2-amine
SMILESCC1(N)CC=CO1
InChIInChI=1S/C5H9NO/c1-5(6)3-2-4-7-5/h2,4H,3,6H2,1H3
InChIKeyICQUHGAWRVHLGA-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.60
Rot. Bonds

About 2-methyl-3H-furan-2-amine

2-methyl-3H-furan-2-amine (PubChem CID 53420168) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methyl-3H-furan-2-amine.

Molecular Properties

Compound Name2-methyl-3H-furan-2-amine
PubChem CID53420168
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methyl-3H-furan-2-amine
SMILESCC1(N)CC=CO1
InChIInChI=1S/C5H9NO/c1-5(6)3-2-4-7-5/h2,4H,3,6H2,1H3
InChIKeyICQUHGAWRVHLGA-UHFFFAOYSA-N
XLogP0.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-furan-2-amine?
The IUPAC name of 2-methyl-3H-furan-2-amine (CID 53420168) is 2-methyl-3H-furan-2-amine.
What is the SMILES notation for 2-methyl-3H-furan-2-amine?
The canonical SMILES for 2-methyl-3H-furan-2-amine is CC1(N)CC=CO1.
What is the InChIKey of 2-methyl-3H-furan-2-amine?
The InChIKey is ICQUHGAWRVHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(6)3-2-4-7-5/h2,4H,3,6H2,1H3.
What are the key properties of 2-methyl-3H-furan-2-amine?
2-methyl-3H-furan-2-amine has a molecular weight of 99.13 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-furan-2-amine is sourced from PubChem (CID 53420168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).