5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine

C10H19N3S — CID 69035868

IUPAC5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine
SMILESCCCN1C=CC2C(N)SC(N)C2C1
InChIInChI=1S/C10H19N3S/c1-2-4-13-5-3-7-8(6-13)10(12)14-9(7)11/h3,5,7-10H,2,4,6,11-12H2,1H3
InChIKeyITGUUEKWXWHOFT-UHFFFAOYSA-N
MW213.35 g/mol
LogP0.77
Rot. Bonds2

About 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine

5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine (PubChem CID 69035868) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine.

Molecular Properties

Compound Name5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine
PubChem CID69035868
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine
SMILESCCCN1C=CC2C(N)SC(N)C2C1
InChIInChI=1S/C10H19N3S/c1-2-4-13-5-3-7-8(6-13)10(12)14-9(7)11/h3,5,7-10H,2,4,6,11-12H2,1H3
InChIKeyITGUUEKWXWHOFT-UHFFFAOYSA-N
XLogP0.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine?
The IUPAC name of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine (CID 69035868) is 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine.
What is the SMILES notation for 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine?
The canonical SMILES for 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine is CCCN1C=CC2C(N)SC(N)C2C1.
What is the InChIKey of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine?
The InChIKey is ITGUUEKWXWHOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-4-13-5-3-7-8(6-13)10(12)14-9(7)11/h3,5,7-10H,2,4,6,11-12H2,1H3.
What are the key properties of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine?
5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine has a molecular weight of 213.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine is sourced from PubChem (CID 69035868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).