ethane;N-methylfuran-2-amine

C7H13NO — CID 21311694

IUPACethane;N-methylfuran-2-amine
SMILESCC.CNc1ccco1
InChIInChI=1S/C5H7NO.C2H6/c1-6-5-3-2-4-7-5;1-2/h2-4,6H,1H3;1-2H3
InChIKeyQBFRFVLKOWFAQQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP2.35
Rot. Bonds1

About ethane;N-methylfuran-2-amine

ethane;N-methylfuran-2-amine (PubChem CID 21311694) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;N-methylfuran-2-amine.

Molecular Properties

Compound Nameethane;N-methylfuran-2-amine
PubChem CID21311694
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameethane;N-methylfuran-2-amine
SMILESCC.CNc1ccco1
InChIInChI=1S/C5H7NO.C2H6/c1-6-5-3-2-4-7-5;1-2/h2-4,6H,1H3;1-2H3
InChIKeyQBFRFVLKOWFAQQ-UHFFFAOYSA-N
XLogP2.35
TPSA25.17 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylfuran-2-amine?
The IUPAC name of ethane;N-methylfuran-2-amine (CID 21311694) is ethane;N-methylfuran-2-amine.
What is the SMILES notation for ethane;N-methylfuran-2-amine?
The canonical SMILES for ethane;N-methylfuran-2-amine is CC.CNc1ccco1.
What is the InChIKey of ethane;N-methylfuran-2-amine?
The InChIKey is QBFRFVLKOWFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c1-6-5-3-2-4-7-5;1-2/h2-4,6H,1H3;1-2H3.
What are the key properties of ethane;N-methylfuran-2-amine?
ethane;N-methylfuran-2-amine has a molecular weight of 127.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylfuran-2-amine is sourced from PubChem (CID 21311694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).