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

C7H13NO — CID 142883617

IUPAC(2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine
SMILESCC1C=C(CN)OC1C
InChIInChI=1S/C7H13NO/c1-5-3-7(4-8)9-6(5)2/h3,5-6H,4,8H2,1-2H3
InChIKeyFWMBVIGVCDKZDL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.88
Rot. Bonds1

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

(2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine (PubChem CID 142883617) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine
PubChem CID142883617
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine
SMILESCC1C=C(CN)OC1C
InChIInChI=1S/C7H13NO/c1-5-3-7(4-8)9-6(5)2/h3,5-6H,4,8H2,1-2H3
InChIKeyFWMBVIGVCDKZDL-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine (CID 142883617) is (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine is CC1C=C(CN)OC1C.
What is the InChIKey of (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is FWMBVIGVCDKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(4-8)9-6(5)2/h3,5-6H,4,8H2,1-2H3.
What are the key properties of (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine?
(2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 127.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 142883617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).