4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine

C8H14N2S — CID 142907302

IUPAC4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine
SMILESCNc1cscc1NC(C)C
InChIInChI=1S/C8H14N2S/c1-6(2)10-8-5-11-4-7(8)9-3/h4-6,9-10H,1-3H3
InChIKeyZRIMMKTVPUMRQZ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.61
Rot. Bonds3

About 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine

4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine (PubChem CID 142907302) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine
PubChem CID142907302
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine
SMILESCNc1cscc1NC(C)C
InChIInChI=1S/C8H14N2S/c1-6(2)10-8-5-11-4-7(8)9-3/h4-6,9-10H,1-3H3
InChIKeyZRIMMKTVPUMRQZ-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine (CID 142907302) is 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine is CNc1cscc1NC(C)C.
What is the InChIKey of 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine?
The InChIKey is ZRIMMKTVPUMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)10-8-5-11-4-7(8)9-3/h4-6,9-10H,1-3H3.
What are the key properties of 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine?
4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine has a molecular weight of 170.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N-propan-2-ylthiophene-3,4-diamine is sourced from PubChem (CID 142907302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).