4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine

C8H17NS — CID 139395179

IUPAC4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(N)C(C)(C)CSC
InChIInChI=1S/C8H17NS/c1-5-7(9)8(2,3)6-10-4/h5,7H,1,6,9H2,2-4H3
InChIKeyCHNWGEAFQZLWGB-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.89
Rot. Bonds4

About 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine

4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 139395179) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID139395179
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(N)C(C)(C)CSC
InChIInChI=1S/C8H17NS/c1-5-7(9)8(2,3)6-10-4/h5,7H,1,6,9H2,2-4H3
InChIKeyCHNWGEAFQZLWGB-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine (CID 139395179) is 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine is C=CC(N)C(C)(C)CSC.
What is the InChIKey of 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is CHNWGEAFQZLWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-7(9)8(2,3)6-10-4/h5,7H,1,6,9H2,2-4H3.
What are the key properties of 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine?
4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 139395179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).