2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine

C7H15NS — CID 123854918

IUPAC2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine
SMILESC=C(C)CNC(C)SC
InChIInChI=1S/C7H15NS/c1-6(2)5-8-7(3)9-4/h7-8H,1,5H2,2-4H3
InChIKeyINKQYNCNFPNUPJ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine

2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine (PubChem CID 123854918) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine
PubChem CID123854918
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine
SMILESC=C(C)CNC(C)SC
InChIInChI=1S/C7H15NS/c1-6(2)5-8-7(3)9-4/h7-8H,1,5H2,2-4H3
InChIKeyINKQYNCNFPNUPJ-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 114616982
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695349
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine
CID 89243600
2-methyl-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 89887491
2-methyl-3,4-dihydro-2H-1,3-thiazine
CID 123686569
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
(Z)-N,2-dimethyl-3-methylsulfanylprop-2-en-1-amine
CID 139565675
N,2-dimethyl-5-methylsulfanylpenta-2,3-dien-1-amine
CID 155471975
2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine
CID 174317661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine (CID 123854918) is 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine is C=C(C)CNC(C)SC.
What is the InChIKey of 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is INKQYNCNFPNUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)5-8-7(3)9-4/h7-8H,1,5H2,2-4H3.
What are the key properties of 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine?
2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 123854918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).