N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine

C11H21NS — CID 102641115

IUPACN-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine
SMILESC=CC(C)(CCSC)CNC1CC1
InChIInChI=1S/C11H21NS/c1-4-11(2,7-8-13-3)9-12-10-5-6-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyIEDMDEOEVBHJLG-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.68
Rot. Bonds7

About N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine

N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine (PubChem CID 102641115) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine
PubChem CID102641115
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine
SMILESC=CC(C)(CCSC)CNC1CC1
InChIInChI=1S/C11H21NS/c1-4-11(2,7-8-13-3)9-12-10-5-6-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyIEDMDEOEVBHJLG-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.68
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-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
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
N,2-dimethyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640448
2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640612
N-ethyl-2-methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640624
2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine
CID 102640708
2-ethenyl-N-ethyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640729
N-ethyl-2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine
CID 102640777

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine (CID 102641115) is N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine is C=CC(C)(CCSC)CNC1CC1.
What is the InChIKey of N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine?
The InChIKey is IEDMDEOEVBHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-11(2,7-8-13-3)9-12-10-5-6-10/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine?
N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine has a molecular weight of 199.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methylsulfanylethyl)but-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).