N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine

C12H25NOS — CID 116521719

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCC1CCC(C)(C)O1
InChIInChI=1S/C12H25NOS/c1-5-10(9-15-4)13-8-11-6-7-12(2,3)14-11/h10-11,13H,5-9H2,1-4H3
InChIKeyIHUHSYAQLFUYRD-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds6

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 116521719) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
PubChem CID116521719
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCC1CCC(C)(C)O1
InChIInChI=1S/C12H25NOS/c1-5-10(9-15-4)13-8-11-6-7-12(2,3)14-11/h10-11,13H,5-9H2,1-4H3
InChIKeyIHUHSYAQLFUYRD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 116521337
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
CID 116521359
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
CID 116521320
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine (CID 116521719) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is IHUHSYAQLFUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-5-10(9-15-4)13-8-11-6-7-12(2,3)14-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 116521719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).