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

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

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Related Compounds

4-(Methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 91922013
9-{[4-(Pyrrolidin-1-ylmethyl)-2-thienyl]methyl}-3-oxa-9-azaspiro[5.5]undecane
CID 56904269
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 24702305
N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 58333067
N-[(4-ethylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 68298171
6'-methyl-5',6'-dihydro-4'H-spiro[piperidine-4,7'-thieno[2,3-c]pyridine]
CID 125515306
5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;N-methylmethanamine
CID 143437849
Ethyl 2,2-dimethylpentanoate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 158267288
5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 170676430
5-[[1-(ethoxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 174182110
N-((3-Methylthiophen-2-yl)methyl)-3-morpholinopropan-1-amine
CID 3151941
1-(3-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)but-3-en-1-amine
CID 4711960

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).