(E)-1-amino-4-methylpent-1-ene-1-thiol

C6H13NS — CID 166985345

IUPAC(E)-1-amino-4-methylpent-1-ene-1-thiol
SMILESCC(C)C/C=C(\N)S
InChIInChI=1S/C6H13NS/c1-5(2)3-4-6(7)8/h4-5,8H,3,7H2,1-2H3/b6-4+
InChIKeyCXNVSQYIBKUDFO-GQCTYLIASA-N
MW131.24 g/mol
LogP1.76
Rot. Bonds2

About (E)-1-amino-4-methylpent-1-ene-1-thiol

(E)-1-amino-4-methylpent-1-ene-1-thiol (PubChem CID 166985345) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (E)-1-amino-4-methylpent-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-1-amino-4-methylpent-1-ene-1-thiol
PubChem CID166985345
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(E)-1-amino-4-methylpent-1-ene-1-thiol
SMILESCC(C)C/C=C(\N)S
InChIInChI=1S/C6H13NS/c1-5(2)3-4-6(7)8/h4-5,8H,3,7H2,1-2H3/b6-4+
InChIKeyCXNVSQYIBKUDFO-GQCTYLIASA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine
CID 55254142
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
2,8-dimethyl-5-(3-methylbutyl)non-4-ene
CID 19035560
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
(E)-2,5-dimethyloct-4-ene
CID 173056267
(Z)-5-ethoxy-2,8-dimethylnon-4-ene
CID 10726646
2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine
CID 174062178
bis(2-methylpropyl) 2-(3-methylbutylidene)propanedioate
CID 90311508

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-4-methylpent-1-ene-1-thiol?
The IUPAC name of (E)-1-amino-4-methylpent-1-ene-1-thiol (CID 166985345) is (E)-1-amino-4-methylpent-1-ene-1-thiol.
What is the SMILES notation for (E)-1-amino-4-methylpent-1-ene-1-thiol?
The canonical SMILES for (E)-1-amino-4-methylpent-1-ene-1-thiol is CC(C)C/C=C(\N)S.
What is the InChIKey of (E)-1-amino-4-methylpent-1-ene-1-thiol?
The InChIKey is CXNVSQYIBKUDFO-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13NS/c1-5(2)3-4-6(7)8/h4-5,8H,3,7H2,1-2H3/b6-4+.
What are the key properties of (E)-1-amino-4-methylpent-1-ene-1-thiol?
(E)-1-amino-4-methylpent-1-ene-1-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-4-methylpent-1-ene-1-thiol is sourced from PubChem (CID 166985345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).