[(2S)-2-methyl-3H-furan-2-yl]methanamine

C6H11NO — CID 66989243

IUPAC[(2S)-2-methyl-3H-furan-2-yl]methanamine
SMILESC[C@@]1(CN)CC=CO1
InChIInChI=1S/C6H11NO/c1-6(5-7)3-2-4-8-6/h2,4H,3,5,7H2,1H3/t6-/m0/s1
InChIKeyRDXHTFORTQZSTB-LURJTMIESA-N
MW113.16 g/mol
LogP0.64
Rot. Bonds1

About [(2S)-2-methyl-3H-furan-2-yl]methanamine

[(2S)-2-methyl-3H-furan-2-yl]methanamine (PubChem CID 66989243) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(2S)-2-methyl-3H-furan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-2-methyl-3H-furan-2-yl]methanamine
PubChem CID66989243
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(2S)-2-methyl-3H-furan-2-yl]methanamine
SMILESC[C@@]1(CN)CC=CO1
InChIInChI=1S/C6H11NO/c1-6(5-7)3-2-4-8-6/h2,4H,3,5,7H2,1H3/t6-/m0/s1
InChIKeyRDXHTFORTQZSTB-LURJTMIESA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66989199
CID 66989199
CID 69763756
CID 69763756
CID 70112412
CID 70112412
CID 142180356
CID 142180356
CID 168993164
CID 168993164
CID 168993262
CID 168993262
CID 175748243
CID 175748243
CID 53443619
CID 53443619

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-3H-furan-2-yl]methanamine?
The IUPAC name of [(2S)-2-methyl-3H-furan-2-yl]methanamine (CID 66989243) is [(2S)-2-methyl-3H-furan-2-yl]methanamine.
What is the SMILES notation for [(2S)-2-methyl-3H-furan-2-yl]methanamine?
The canonical SMILES for [(2S)-2-methyl-3H-furan-2-yl]methanamine is C[C@@]1(CN)CC=CO1.
What is the InChIKey of [(2S)-2-methyl-3H-furan-2-yl]methanamine?
The InChIKey is RDXHTFORTQZSTB-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-6(5-7)3-2-4-8-6/h2,4H,3,5,7H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-2-methyl-3H-furan-2-yl]methanamine?
[(2S)-2-methyl-3H-furan-2-yl]methanamine has a molecular weight of 113.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-3H-furan-2-yl]methanamine is sourced from PubChem (CID 66989243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).