2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

C11H23NS — CID 103068184

IUPAC2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CSC(C)CC
InChIInChI=1S/C11H23NS/c1-6-11(5)13-8-10(4)7-12-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyLJNDOZBHXHROHG-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.07
Rot. Bonds7

About 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103068184) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103068184
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CSC(C)CC
InChIInChI=1S/C11H23NS/c1-6-11(5)13-8-10(4)7-12-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyLJNDOZBHXHROHG-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.07
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

2,2-Dimethyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948587
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
(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68318458
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103068184) is 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CSC(C)CC.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is LJNDOZBHXHROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-11(5)13-8-10(4)7-12-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3.
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).