N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C16H22N2OS — CID 103903352

IUPACN-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCC1(C)CCOCC1)c1cnc2ccsc2c1
InChIInChI=1S/C16H22N2OS/c1-12(18-11-16(2)4-6-19-7-5-16)13-9-15-14(17-10-13)3-8-20-15/h3,8-10,12,18H,4-7,11H2,1-2H3
InChIKeyUJAJZZVZFAVQMK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 103903352) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID103903352
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCC1(C)CCOCC1)c1cnc2ccsc2c1
InChIInChI=1S/C16H22N2OS/c1-12(18-11-16(2)4-6-19-7-5-16)13-9-15-14(17-10-13)3-8-20-15/h3,8-10,12,18H,4-7,11H2,1-2H3
InChIKeyUJAJZZVZFAVQMK-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 103903352) is N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(NCC1(C)CCOCC1)c1cnc2ccsc2c1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is UJAJZZVZFAVQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(18-11-16(2)4-6-19-7-5-16)13-9-15-14(17-10-13)3-8-20-15/h3,8-10,12,18H,4-7,11H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 103903352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).