4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine

C12H19NOS — CID 115758089

IUPAC4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
SMILESCc1ccc(CNC2(C)CCOCC2)s1
InChIInChI=1S/C12H19NOS/c1-10-3-4-11(15-10)9-13-12(2)5-7-14-8-6-12/h3-4,13H,5-9H2,1-2H3
InChIKeyDUFNIIDNNBONPW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine

4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine (PubChem CID 115758089) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
PubChem CID115758089
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
SMILESCc1ccc(CNC2(C)CCOCC2)s1
InChIInChI=1S/C12H19NOS/c1-10-3-4-11(15-10)9-13-12(2)5-7-14-8-6-12/h3-4,13H,5-9H2,1-2H3
InChIKeyDUFNIIDNNBONPW-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 115768600
1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methyloxan-4-amine
CID 115758057
N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365000
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765786
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
CID 115758035
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 167757677
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
CID 115757939

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine (CID 115758089) is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine is Cc1ccc(CNC2(C)CCOCC2)s1.
What is the InChIKey of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine?
The InChIKey is DUFNIIDNNBONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-3-4-11(15-10)9-13-12(2)5-7-14-8-6-12/h3-4,13H,5-9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine?
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115758089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).