2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine

C10H21NS — CID 143507668

IUPAC2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine
SMILESCS/C(C)=C(/C)NCC(C)(C)C
InChIInChI=1S/C10H21NS/c1-8(9(2)12-6)11-7-10(3,4)5/h11H,7H2,1-6H3/b9-8-
InChIKeyXYPPMMSVLDTZFM-HJWRWDBZSA-N
MW187.35 g/mol
LogP3.24
Rot. Bonds3

About 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine

2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine (PubChem CID 143507668) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine
PubChem CID143507668
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine
SMILESCS/C(C)=C(/C)NCC(C)(C)C
InChIInChI=1S/C10H21NS/c1-8(9(2)12-6)11-7-10(3,4)5/h11H,7H2,1-6H3/b9-8-
InChIKeyXYPPMMSVLDTZFM-HJWRWDBZSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-2-(aminomethylsulfanyl)-1-N-propylbut-2-ene-1,3-diamine
CID 142914657
(Z)-N-ethyl-3-ethylsulfanylbut-2-en-2-amine
CID 144404590

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine (CID 143507668) is 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine is CS/C(C)=C(/C)NCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine?
The InChIKey is XYPPMMSVLDTZFM-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(9(2)12-6)11-7-10(3,4)5/h11H,7H2,1-6H3/b9-8-.
What are the key properties of 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine?
2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(Z)-3-methylsulfanylbut-2-en-2-yl]propan-1-amine is sourced from PubChem (CID 143507668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).