(2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine

C11H23NS — CID 134211973

IUPAC(2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine
SMILESCC(C)C/C=C/CSCC[C@@H](C)N
InChIInChI=1S/C11H23NS/c1-10(2)6-4-5-8-13-9-7-11(3)12/h4-5,10-11H,6-9,12H2,1-3H3/b5-4+/t11-/m1/s1
InChIKeyHCRZRLBMYKMJBH-SGUJLRQBSA-N
MW201.38 g/mol
LogP3.06
Rot. Bonds7

About (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine

(2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine (PubChem CID 134211973) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine
PubChem CID134211973
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine
SMILESCC(C)C/C=C/CSCC[C@@H](C)N
InChIInChI=1S/C11H23NS/c1-10(2)6-4-5-8-13-9-7-11(3)12/h4-5,10-11H,6-9,12H2,1-3H3/b5-4+/t11-/m1/s1
InChIKeyHCRZRLBMYKMJBH-SGUJLRQBSA-N
XLogP3.06
TPSA26.02 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 ≤ 53.06
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

2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
2-[(4-Methylpent-3-en-1-yl)sulfanyl]ethan-1-amine
CID 58684050
3-(4-Methylpent-3-enylsulfanyl)propan-1-amine
CID 58684137
2-(5-Methylhex-4-enylsulfanyl)ethanamine
CID 58684584
3-[(E)-pent-3-enyl]sulfanylpropan-1-amine
CID 58684767
3-Pent-3-enylsulfanylpropan-1-amine
CID 72391269
(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine
CID 89017432
1-(2,3-Dihydrothiophen-3-yl)ethanamine
CID 89045372
(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine
CID 89082277
2-[(Z)-2,7-dimethyloct-4-enyl]sulfanylethanamine
CID 89197336
(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine
CID 89256497
(Z,1R,2S)-2-methyl-1-propan-2-ylsulfanyloct-3-en-1-amine
CID 121264962

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine?
The IUPAC name of (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine (CID 134211973) is (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine.
What is the SMILES notation for (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine?
The canonical SMILES for (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine is CC(C)C/C=C/CSCC[C@@H](C)N.
What is the InChIKey of (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine?
The InChIKey is HCRZRLBMYKMJBH-SGUJLRQBSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2)6-4-5-8-13-9-7-11(3)12/h4-5,10-11H,6-9,12H2,1-3H3/b5-4+/t11-/m1/s1.
What are the key properties of (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine?
(2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(E)-5-methylhex-2-enyl]sulfanylbutan-2-amine is sourced from PubChem (CID 134211973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).