4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine

C15H26N2S — CID 55069879

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CCc2sccc2C1
InChIInChI=1S/C15H26N2S/c1-13(2)11-16-7-3-4-8-17-9-5-15-14(12-17)6-10-18-15/h6,10,13,16H,3-5,7-9,11-12H2,1-2H3
InChIKeyAJPZVCYVEHNZHX-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.13
Rot. Bonds7

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 55069879) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID55069879
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CCc2sccc2C1
InChIInChI=1S/C15H26N2S/c1-13(2)11-16-7-3-4-8-17-9-5-15-14(12-17)6-10-18-15/h6,10,13,16H,3-5,7-9,11-12H2,1-2H3
InChIKeyAJPZVCYVEHNZHX-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62424621
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62439650
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86831241
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83042402

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine (CID 55069879) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCN1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is AJPZVCYVEHNZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-13(2)11-16-7-3-4-8-17-9-5-15-14(12-17)6-10-18-15/h6,10,13,16H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 55069879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).