4-(1-amino-2-methylpropyl)thiophen-3-amine

C8H14N2S — CID 130000995

IUPAC4-(1-amino-2-methylpropyl)thiophen-3-amine
SMILESCC(C)C(N)c1cscc1N
InChIInChI=1S/C8H14N2S/c1-5(2)8(10)6-3-11-4-7(6)9/h3-5,8H,9-10H2,1-2H3
InChIKeyDZBSALWIXXJHJD-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.99
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)thiophen-3-amine

4-(1-amino-2-methylpropyl)thiophen-3-amine (PubChem CID 130000995) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)thiophen-3-amine.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)thiophen-3-amine
PubChem CID130000995
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-(1-amino-2-methylpropyl)thiophen-3-amine
SMILESCC(C)C(N)c1cscc1N
InChIInChI=1S/C8H14N2S/c1-5(2)8(10)6-3-11-4-7(6)9/h3-5,8H,9-10H2,1-2H3
InChIKeyDZBSALWIXXJHJD-UHFFFAOYSA-N
XLogP1.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)thiophen-3-amine?
The IUPAC name of 4-(1-amino-2-methylpropyl)thiophen-3-amine (CID 130000995) is 4-(1-amino-2-methylpropyl)thiophen-3-amine.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)thiophen-3-amine?
The canonical SMILES for 4-(1-amino-2-methylpropyl)thiophen-3-amine is CC(C)C(N)c1cscc1N.
What is the InChIKey of 4-(1-amino-2-methylpropyl)thiophen-3-amine?
The InChIKey is DZBSALWIXXJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(2)8(10)6-3-11-4-7(6)9/h3-5,8H,9-10H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropyl)thiophen-3-amine?
4-(1-amino-2-methylpropyl)thiophen-3-amine has a molecular weight of 170.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)thiophen-3-amine is sourced from PubChem (CID 130000995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).