N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine

C12H17N3S — CID 64830568

IUPACN'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
SMILESCC(NCCCN)c1cnc2ccsc2c1
InChIInChI=1S/C12H17N3S/c1-9(14-5-2-4-13)10-7-12-11(15-8-10)3-6-16-12/h3,6-9,14H,2,4-5,13H2,1H3
InChIKeyGVFDDJOFOCRQSJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.30
Rot. Bonds5

About N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine

N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine (PubChem CID 64830568) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
PubChem CID64830568
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
SMILESCC(NCCCN)c1cnc2ccsc2c1
InChIInChI=1S/C12H17N3S/c1-9(14-5-2-4-13)10-7-12-11(15-8-10)3-6-16-12/h3,6-9,14H,2,4-5,13H2,1H3
InChIKeyGVFDDJOFOCRQSJ-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
CID 64830936
N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
CID 103786961
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 115713730
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374
N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64829637
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768

Frequently Asked Questions

What is the IUPAC name of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine (CID 64830568) is N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine is CC(NCCCN)c1cnc2ccsc2c1.
What is the InChIKey of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine?
The InChIKey is GVFDDJOFOCRQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(14-5-2-4-13)10-7-12-11(15-8-10)3-6-16-12/h3,6-9,14H,2,4-5,13H2,1H3.
What are the key properties of N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine?
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine has a molecular weight of 235.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 64830568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).