N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C13H20N2S — CID 102774294

IUPACN-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCSC(C)CCNC1CCc2cccnc21
InChIInChI=1S/C13H20N2S/c1-10(16-2)7-9-14-12-6-5-11-4-3-8-15-13(11)12/h3-4,8,10,12,14H,5-7,9H2,1-2H3
InChIKeyQJVFNRQDWOJBBR-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.80
Rot. Bonds5

About N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102774294) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102774294
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCSC(C)CCNC1CCc2cccnc21
InChIInChI=1S/C13H20N2S/c1-10(16-2)7-9-14-12-6-5-11-4-3-8-15-13(11)12/h3-4,8,10,12,14H,5-7,9H2,1-2H3
InChIKeyQJVFNRQDWOJBBR-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774269
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N-propan-2-ylpropanamide
CID 102774214
N-(3-methylsulfonylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773526
3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethylsulfanyl]propan-1-ol
CID 106309493
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
N-(1-ethoxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773638
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114138079
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773752
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
CID 102773952

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102774294) is N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is CSC(C)CCNC1CCc2cccnc21.
What is the InChIKey of N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is QJVFNRQDWOJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(16-2)7-9-14-12-6-5-11-4-3-8-15-13(11)12/h3-4,8,10,12,14H,5-7,9H2,1-2H3.
What are the key properties of N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 236.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102774294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).