5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine

C10H19NS — CID 89119207

IUPAC5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCC1C=CSC1
InChIInChI=1S/C10H19NS/c1-10(2,11)6-3-4-9-5-7-12-8-9/h5,7,9H,3-4,6,8,11H2,1-2H3
InChIKeyCCKJZSDAWZUYLY-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.77
Rot. Bonds4

About 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine

5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine (PubChem CID 89119207) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine
PubChem CID89119207
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCC1C=CSC1
InChIInChI=1S/C10H19NS/c1-10(2,11)6-3-4-9-5-7-12-8-9/h5,7,9H,3-4,6,8,11H2,1-2H3
InChIKeyCCKJZSDAWZUYLY-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine?
The IUPAC name of 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine (CID 89119207) is 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine.
What is the SMILES notation for 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine?
The canonical SMILES for 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine is CC(C)(N)CCCC1C=CSC1.
What is the InChIKey of 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine?
The InChIKey is CCKJZSDAWZUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(2,11)6-3-4-9-5-7-12-8-9/h5,7,9H,3-4,6,8,11H2,1-2H3.
What are the key properties of 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine?
5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine has a molecular weight of 185.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothiophen-3-yl)-2-methylpentan-2-amine is sourced from PubChem (CID 89119207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).