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

C18H24N2S — CID 114748970

IUPACN-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H24N2S/c1-14(2)19-10-16-13-21-18-12-20(9-8-17(16)18)11-15-6-4-3-5-7-15/h3-7,13-14,19H,8-12H2,1-2H3
InChIKeyLGJXRIVKEZNOBF-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.80
Rot. Bonds5

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

N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine (PubChem CID 114748970) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine
PubChem CID114748970
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H24N2S/c1-14(2)19-10-16-13-21-18-12-20(9-8-17(16)18)11-15-6-4-3-5-7-15/h3-7,13-14,19H,8-12H2,1-2H3
InChIKeyLGJXRIVKEZNOBF-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine with MolForge

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Related Compounds

(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82505660
methyl 3-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
CID 126455402
5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
(2S)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)butan-2-amine
CID 97035252
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
1-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanamine
CID 61337225
6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine
CID 15402473
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloropropanamide
CID 71300009

Frequently Asked Questions

What is the IUPAC name of N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine (CID 114748970) is N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine is CC(C)NCc1csc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine?
The InChIKey is LGJXRIVKEZNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14(2)19-10-16-13-21-18-12-20(9-8-17(16)18)11-15-6-4-3-5-7-15/h3-7,13-14,19H,8-12H2,1-2H3.
What are the key properties of N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine?
N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114748970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).