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

C12H25NS — CID 102641448

IUPAC2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine
SMILESC=CC(C)(CCSC)CNCC(C)C
InChIInChI=1S/C12H25NS/c1-6-12(4,7-8-14-5)10-13-9-11(2)3/h6,11,13H,1,7-10H2,2-5H3
InChIKeyNHMMSIGJSZZWJP-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.18
Rot. Bonds8

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

2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine (PubChem CID 102641448) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine
PubChem CID102641448
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine
SMILESC=CC(C)(CCSC)CNCC(C)C
InChIInChI=1S/C12H25NS/c1-6-12(4,7-8-14-5)10-13-9-11(2)3/h6,11,13H,1,7-10H2,2-5H3
InChIKeyNHMMSIGJSZZWJP-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640526
N-ethyl-2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640695
2-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640861
2-methyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102641024
N-tert-butyl-2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102641355
2-methyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102641524
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
(Z)-5-(ethylamino)-4-methylpent-1-ene-1-thiol
CID 89583688
6-Ethyl-6-methyl-7-methylsulfanyl-1,2,3,7-tetrahydroazepine
CID 123460923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine (CID 102641448) is 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine is C=CC(C)(CCSC)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine?
The InChIKey is NHMMSIGJSZZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-6-12(4,7-8-14-5)10-13-9-11(2)3/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine?
2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(2-methylsulfanylethyl)but-3-en-1-amine is sourced from PubChem (CID 102641448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).