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

C17H28N2S — CID 62615349

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCc2sccc2C1
InChIInChI=1S/C17H28N2S/c1-3-18-16-5-4-13(2)10-15(16)12-19-8-6-17-14(11-19)7-9-20-17/h7,9,13,15-16,18H,3-6,8,10-12H2,1-2H3
InChIKeyFHKPNPFAYKDYCG-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.52
Rot. Bonds4

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 62615349) 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)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID62615349
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCc2sccc2C1
InChIInChI=1S/C17H28N2S/c1-3-18-16-5-4-13(2)10-15(16)12-19-8-6-17-14(11-19)7-9-20-17/h7,9,13,15-16,18H,3-6,8,10-12H2,1-2H3
InChIKeyFHKPNPFAYKDYCG-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (CID 62615349) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is FHKPNPFAYKDYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-18-16-5-4-13(2)10-15(16)12-19-8-6-17-14(11-19)7-9-20-17/h7,9,13,15-16,18H,3-6,8,10-12H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.52, 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)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62615349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).