3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine

C8H17NS — CID 103605455

IUPAC3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine
SMILESCSCCNCC=C(C)C
InChIInChI=1S/C8H17NS/c1-8(2)4-5-9-6-7-10-3/h4,9H,5-7H2,1-3H3
InChIKeyLTYQFBBCBYJQQN-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.91
Rot. Bonds5

About 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine

3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine (PubChem CID 103605455) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine
PubChem CID103605455
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine
SMILESCSCCNCC=C(C)C
InChIInChI=1S/C8H17NS/c1-8(2)4-5-9-6-7-10-3/h4,9H,5-7H2,1-3H3
InChIKeyLTYQFBBCBYJQQN-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106547002
2-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58683996
N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
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
N-[2-(2-chloroethylsulfanyl)ethyl]-3-methylbut-2-en-1-amine
CID 89201405
(E)-4-(ethylamino)-2-(ethylaminomethyl)but-2-ene-1-thiol
CID 89299757
2-methyl-N-(1-methylsulfanylethyl)prop-2-en-1-amine
CID 123854918
1-(Methylamino)ethanethiol;2-methylbut-2-ene
CID 141779951
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine (CID 103605455) is 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine is CSCCNCC=C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine?
The InChIKey is LTYQFBBCBYJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2)4-5-9-6-7-10-3/h4,9H,5-7H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine?
3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfanylethyl)but-2-en-1-amine is sourced from PubChem (CID 103605455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).