N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine

C16H26N2OS — CID 62390935

IUPACN-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCc3sccc3C2)CCOCC1
InChIInChI=1S/C16H26N2OS/c1-2-17-12-16(5-8-19-9-6-16)13-18-7-3-15-14(11-18)4-10-20-15/h4,10,17H,2-3,5-9,11-13H2,1H3
InChIKeyDLAMZPSYKAGSDR-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.51
Rot. Bonds5

About N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine

N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 62390935) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine
PubChem CID62390935
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCc3sccc3C2)CCOCC1
InChIInChI=1S/C16H26N2OS/c1-2-17-12-16(5-8-19-9-6-16)13-18-7-3-15-14(11-18)4-10-20-15/h4,10,17H,2-3,5-9,11-13H2,1H3
InChIKeyDLAMZPSYKAGSDR-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine (CID 62390935) is N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCc3sccc3C2)CCOCC1.
What is the InChIKey of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is DLAMZPSYKAGSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-17-12-16(5-8-19-9-6-16)13-18-7-3-15-14(11-18)4-10-20-15/h4,10,17H,2-3,5-9,11-13H2,1H3.
What are the key properties of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine?
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 294.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62390935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).