2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine

C17H28N2S — CID 62615711

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN2CCc3sccc3C2)C1
InChIInChI=1S/C17H28N2S/c1-2-3-13-4-5-16(18)15(10-13)12-19-8-6-17-14(11-19)7-9-20-17/h7,9,13,15-16H,2-6,8,10-12,18H2,1H3
InChIKeyHPIDGFKEUCEESN-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.65
Rot. Bonds4

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 62615711) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID62615711
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN2CCc3sccc3C2)C1
InChIInChI=1S/C17H28N2S/c1-2-3-13-4-5-16(18)15(10-13)12-19-8-6-17-14(11-19)7-9-20-17/h7,9,13,15-16H,2-6,8,10-12,18H2,1H3
InChIKeyHPIDGFKEUCEESN-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-amine
CID 54928022
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62615349
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-methyl-N-propylcyclohexan-1-amine
CID 62615350
4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol
CID 62608999
1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674036
1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
CID 114681929
5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929942
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiolane 1,1-dioxide
CID 155798226
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 103502594
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine (CID 62615711) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN2CCc3sccc3C2)C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is HPIDGFKEUCEESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-2-3-13-4-5-16(18)15(10-13)12-19-8-6-17-14(11-19)7-9-20-17/h7,9,13,15-16H,2-6,8,10-12,18H2,1H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62615711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).