1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine

C7H13NO — CID 89098997

IUPAC1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine
SMILESCC1=CCC(C(C)N)O1
InChIInChI=1S/C7H13NO/c1-5-3-4-7(9-5)6(2)8/h3,6-7H,4,8H2,1-2H3
InChIKeyPPWKTWIWUFDBRK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds1

About 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine

1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine (PubChem CID 89098997) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine
PubChem CID89098997
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine
SMILESCC1=CCC(C(C)N)O1
InChIInChI=1S/C7H13NO/c1-5-3-4-7(9-5)6(2)8/h3,6-7H,4,8H2,1-2H3
InChIKeyPPWKTWIWUFDBRK-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine?
The IUPAC name of 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine (CID 89098997) is 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine is CC1=CCC(C(C)N)O1.
What is the InChIKey of 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine?
The InChIKey is PPWKTWIWUFDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-4-7(9-5)6(2)8/h3,6-7H,4,8H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine?
1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydrofuran-2-yl)ethanamine is sourced from PubChem (CID 89098997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).