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

C6H11NO — CID 142180356

IUPAC(3-methyl-2,3-dihydrofuran-2-yl)methanamine
SMILESCC1C=COC1CN
InChIInChI=1S/C6H11NO/c1-5-2-3-8-6(5)4-7/h2-3,5-6H,4,7H2,1H3
InChIKeyITCMQXVPQAIOSD-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.49
Rot. Bonds1

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

(3-methyl-2,3-dihydrofuran-2-yl)methanamine (PubChem CID 142180356) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3-methyl-2,3-dihydrofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-2,3-dihydrofuran-2-yl)methanamine
PubChem CID142180356
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3-methyl-2,3-dihydrofuran-2-yl)methanamine
SMILESCC1C=COC1CN
InChIInChI=1S/C6H11NO/c1-5-2-3-8-6(5)4-7/h2-3,5-6H,4,7H2,1H3
InChIKeyITCMQXVPQAIOSD-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-methyl-3H-furan-2-yl]methanamine
CID 66989199
[(2S)-2-methyl-3H-furan-2-yl]methanamine
CID 66989243
1-(2,3-Dihydrofuran-2-yl)ethanamine
CID 68390758
(2,3-Dihydrofuran-2-Yl)Methanamine
CID 69763756
2-(2,3-Dihydrofuran-3-yl)ethanamine
CID 89018211
2-Methyl-2,3-dihydrofuran-3-amine
CID 147439642
[(2S)-2,3-dihydrofuran-2-yl]methanamine
CID 168993164
[(2R)-2,3-dihydrofuran-2-yl]methanamine
CID 168993262
(2-deuterio-3H-furan-2-yl)methanamine
CID 175748243
2-But-3-enoxy-3-methylbutan-1-amine
CID 62443065

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydrofuran-2-yl)methanamine?
The IUPAC name of (3-methyl-2,3-dihydrofuran-2-yl)methanamine (CID 142180356) is (3-methyl-2,3-dihydrofuran-2-yl)methanamine.
What is the SMILES notation for (3-methyl-2,3-dihydrofuran-2-yl)methanamine?
The canonical SMILES for (3-methyl-2,3-dihydrofuran-2-yl)methanamine is CC1C=COC1CN.
What is the InChIKey of (3-methyl-2,3-dihydrofuran-2-yl)methanamine?
The InChIKey is ITCMQXVPQAIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-3-8-6(5)4-7/h2-3,5-6H,4,7H2,1H3.
What are the key properties of (3-methyl-2,3-dihydrofuran-2-yl)methanamine?
(3-methyl-2,3-dihydrofuran-2-yl)methanamine has a molecular weight of 113.16 g/mol, XLogP of 0.49, 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-2-yl)methanamine is sourced from PubChem (CID 142180356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).