N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

C16H26N2S — CID 80998969

IUPACN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1N1CCc2sccc2C1
InChIInChI=1S/C16H26N2S/c1-16(2,3)17-10-12-4-5-14(12)18-8-6-15-13(11-18)7-9-19-15/h7,9,12,14,17H,4-6,8,10-11H2,1-3H3
InChIKeyANNAGPIZCYINGF-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.27
Rot. Bonds3

About N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 80998969) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID80998969
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1N1CCc2sccc2C1
InChIInChI=1S/C16H26N2S/c1-16(2,3)17-10-12-4-5-14(12)18-8-6-15-13(11-18)7-9-19-15/h7,9,12,14,17H,4-6,8,10-11H2,1-3H3
InChIKeyANNAGPIZCYINGF-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 80998969) is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC1N1CCc2sccc2C1.
What is the InChIKey of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ANNAGPIZCYINGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-16(2,3)17-10-12-4-5-14(12)18-8-6-15-13(11-18)7-9-19-15/h7,9,12,14,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80998969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).