(3-methyl-2,3-dihydrofuran-5-yl)methanamine

C6H11NO — CID 143339092

IUPAC(3-methyl-2,3-dihydrofuran-5-yl)methanamine
SMILESCC1C=C(CN)OC1
InChIInChI=1S/C6H11NO/c1-5-2-6(3-7)8-4-5/h2,5H,3-4,7H2,1H3
InChIKeyNMNJIXIOQZNXQX-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.50
Rot. Bonds1

About (3-methyl-2,3-dihydrofuran-5-yl)methanamine

(3-methyl-2,3-dihydrofuran-5-yl)methanamine (PubChem CID 143339092) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3-methyl-2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-2,3-dihydrofuran-5-yl)methanamine
PubChem CID143339092
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3-methyl-2,3-dihydrofuran-5-yl)methanamine
SMILESCC1C=C(CN)OC1
InChIInChI=1S/C6H11NO/c1-5-2-6(3-7)8-4-5/h2,5H,3-4,7H2,1H3
InChIKeyNMNJIXIOQZNXQX-UHFFFAOYSA-N
XLogP0.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of (3-methyl-2,3-dihydrofuran-5-yl)methanamine (CID 143339092) is (3-methyl-2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for (3-methyl-2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for (3-methyl-2,3-dihydrofuran-5-yl)methanamine is CC1C=C(CN)OC1.
What is the InChIKey of (3-methyl-2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is NMNJIXIOQZNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-6(3-7)8-4-5/h2,5H,3-4,7H2,1H3.
What are the key properties of (3-methyl-2,3-dihydrofuran-5-yl)methanamine?
(3-methyl-2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 113.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 143339092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).