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

C7H13NS — CID 89299200

IUPAC(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine
SMILESCC1C=C(CN)SC1C
InChIInChI=1S/C7H13NS/c1-5-3-7(4-8)9-6(5)2/h3,5-6H,4,8H2,1-2H3
InChIKeyWVBDMIUHHYFLHK-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.60
Rot. Bonds1

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

(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine (PubChem CID 89299200) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine
PubChem CID89299200
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine
SMILESCC1C=C(CN)SC1C
InChIInChI=1S/C7H13NS/c1-5-3-7(4-8)9-6(5)2/h3,5-6H,4,8H2,1-2H3
InChIKeyWVBDMIUHHYFLHK-UHFFFAOYSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.60
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-dihydrothiophen-5-yl)methanamine?
The IUPAC name of (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine (CID 89299200) is (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine.
What is the SMILES notation for (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine?
The canonical SMILES for (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine is CC1C=C(CN)SC1C.
What is the InChIKey of (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine?
The InChIKey is WVBDMIUHHYFLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/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-dihydrothiophen-5-yl)methanamine?
(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanamine has a molecular weight of 143.25 g/mol, XLogP of 1.60, 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-dihydrothiophen-5-yl)methanamine is sourced from PubChem (CID 89299200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).