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

C11H23NS — CID 102640790

IUPAC2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCSC)CNCCC
InChIInChI=1S/C11H23NS/c1-5-8-12-10-11(3,6-2)7-9-13-4/h6,12H,2,5,7-10H2,1,3-4H3
InChIKeyFDJPAEGKOAWNKZ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.93
Rot. Bonds8

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

2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine (PubChem CID 102640790) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine
PubChem CID102640790
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCSC)CNCCC
InChIInChI=1S/C11H23NS/c1-5-8-12-10-11(3,6-2)7-9-13-4/h6,12H,2,5,7-10H2,1,3-4H3
InChIKeyFDJPAEGKOAWNKZ-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.93
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'}

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Related Compounds

Thiazolidine, 2-(1,1-dimethylallyl)-2-methyl-
CID 3058777
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-[2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-enyl]cyclopropanamine
CID 102641186
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)but-3-en-1-amine
CID 57591259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine (CID 102640790) is 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine is C=CC(C)(CCSC)CNCCC.
What is the InChIKey of 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine?
The InChIKey is FDJPAEGKOAWNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-8-12-10-11(3,6-2)7-9-13-4/h6,12H,2,5,7-10H2,1,3-4H3.
What are the key properties of 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine?
2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfanylethyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 102640790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).