2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine

C12H25NOS — CID 104586315

IUPAC2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC1(C)CCOCC1
InChIInChI=1S/C12H25NOS/c1-11(9-15-3)8-13-10-12(2)4-6-14-7-5-12/h11,13H,4-10H2,1-3H3
InChIKeyUWCJOUSUVBQARM-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine

2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 104586315) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID104586315
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC1(C)CCOCC1
InChIInChI=1S/C12H25NOS/c1-11(9-15-3)8-13-10-12(2)4-6-14-7-5-12/h11,13H,4-10H2,1-3H3
InChIKeyUWCJOUSUVBQARM-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
2-methyl-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 63964280
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 63829803
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
CID 115746977
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
3-[(4-methyloxan-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 104586350
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
CID 104586482
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
CID 113429693
1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea
CID 84590729
4-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)oxane-4-carboxamide
CID 63958694
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine (CID 104586315) is 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine is CSCC(C)CNCC1(C)CCOCC1.
What is the InChIKey of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is UWCJOUSUVBQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(9-15-3)8-13-10-12(2)4-6-14-7-5-12/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104586315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).