4-methyl-1-propylsulfanylpent-3-en-2-amine

C9H19NS — CID 79178608

IUPAC4-methyl-1-propylsulfanylpent-3-en-2-amine
SMILESCCCSCC(N)C=C(C)C
InChIInChI=1S/C9H19NS/c1-4-5-11-7-9(10)6-8(2)3/h6,9H,4-5,7,10H2,1-3H3
InChIKeyIINCMVBYXPPQDZ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.42
Rot. Bonds5

About 4-methyl-1-propylsulfanylpent-3-en-2-amine

4-methyl-1-propylsulfanylpent-3-en-2-amine (PubChem CID 79178608) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-methyl-1-propylsulfanylpent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-propylsulfanylpent-3-en-2-amine
PubChem CID79178608
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-methyl-1-propylsulfanylpent-3-en-2-amine
SMILESCCCSCC(N)C=C(C)C
InChIInChI=1S/C9H19NS/c1-4-5-11-7-9(10)6-8(2)3/h6,9H,4-5,7,10H2,1-3H3
InChIKeyIINCMVBYXPPQDZ-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylsulfanylpent-3-en-2-amine?
The IUPAC name of 4-methyl-1-propylsulfanylpent-3-en-2-amine (CID 79178608) is 4-methyl-1-propylsulfanylpent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-propylsulfanylpent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-propylsulfanylpent-3-en-2-amine is CCCSCC(N)C=C(C)C.
What is the InChIKey of 4-methyl-1-propylsulfanylpent-3-en-2-amine?
The InChIKey is IINCMVBYXPPQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-11-7-9(10)6-8(2)3/h6,9H,4-5,7,10H2,1-3H3.
What are the key properties of 4-methyl-1-propylsulfanylpent-3-en-2-amine?
4-methyl-1-propylsulfanylpent-3-en-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylsulfanylpent-3-en-2-amine is sourced from PubChem (CID 79178608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).