N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine

C13H21NOS — CID 115893048

IUPACN-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCC1(C)CCOCC1)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-11(12-3-8-16-9-12)14-10-13(2)4-6-15-7-5-13/h3,8-9,11,14H,4-7,10H2,1-2H3
InChIKeyZOLFJPJUYVPSLP-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.22
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine

N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 115893048) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID115893048
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCC1(C)CCOCC1)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-11(12-3-8-16-9-12)14-10-13(2)4-6-15-7-5-13/h3,8-9,11,14H,4-7,10H2,1-2H3
InChIKeyZOLFJPJUYVPSLP-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
CID 97230647
4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903380
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103903352
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113348796
N-[(4-methyloxan-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103903337

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine (CID 115893048) is N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCC1(C)CCOCC1)c1ccsc1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is ZOLFJPJUYVPSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(12-3-8-16-9-12)14-10-13(2)4-6-15-7-5-13/h3,8-9,11,14H,4-7,10H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 115893048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).