N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine

C9H21NOS — CID 115663828

IUPACN-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
SMILESCOCC(C)NC(C)CCSC
InChIInChI=1S/C9H21NOS/c1-8(5-6-12-4)10-9(2)7-11-3/h8-10H,5-7H2,1-4H3
InChIKeyBAWOTDLAPMLAJO-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.75
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine

N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine (PubChem CID 115663828) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
PubChem CID115663828
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
SMILESCOCC(C)NC(C)CCSC
InChIInChI=1S/C9H21NOS/c1-8(5-6-12-4)10-9(2)7-11-3/h8-10H,5-7H2,1-4H3
InChIKeyBAWOTDLAPMLAJO-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Methoxypropyl)tetrahydrothiophen-3-amine
CID 2849476
(2-Methoxy-1-methylethyl)tetrahydro-3-thienylamine
CID 2849473
N-(2-methoxyethyl)thian-3-amine
CID 62873232
3-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 60733356
3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 103778133
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylsulfanylpropan-1-amine
CID 105905286
1-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115710763
1-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 115710774
1-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 116088367
1-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 116088641
4-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 116127010
4-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116127278

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine (CID 115663828) is N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine is COCC(C)NC(C)CCSC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine?
The InChIKey is BAWOTDLAPMLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-8(5-6-12-4)10-9(2)7-11-3/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine?
N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115663828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).