4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine

C16H24N4S — CID 60871032

IUPAC4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
SMILESNCCCCN1CCCN(c2nccc3sccc23)CC1
InChIInChI=1S/C16H24N4S/c17-6-1-2-8-19-9-3-10-20(12-11-19)16-14-5-13-21-15(14)4-7-18-16/h4-5,7,13H,1-3,6,8-12,17H2
InChIKeyOVHVKMOEUQZWHA-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.55
Rot. Bonds5

About 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine

4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine (PubChem CID 60871032) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
PubChem CID60871032
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
SMILESNCCCCN1CCCN(c2nccc3sccc23)CC1
InChIInChI=1S/C16H24N4S/c17-6-1-2-8-19-9-3-10-20(12-11-19)16-14-5-13-21-15(14)4-7-18-16/h4-5,7,13H,1-3,6,8-12,17H2
InChIKeyOVHVKMOEUQZWHA-UHFFFAOYSA-N
XLogP2.55
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine with MolForge

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Related Compounds

4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
3-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-1H-pyrazin-2-one
CID 114570626
[2-methyl-1-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-yl] carbamate
CID 174671822
4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 126808096
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 106875241
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976571
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 60871033

Frequently Asked Questions

What is the IUPAC name of 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine?
The IUPAC name of 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine (CID 60871032) is 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine is NCCCCN1CCCN(c2nccc3sccc23)CC1.
What is the InChIKey of 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine?
The InChIKey is OVHVKMOEUQZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c17-6-1-2-8-19-9-3-10-20(12-11-19)16-14-5-13-21-15(14)4-7-18-16/h4-5,7,13H,1-3,6,8-12,17H2.
What are the key properties of 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine?
4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine is sourced from PubChem (CID 60871032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).