2-butylsulfanyl-4-methylpent-1-en-3-amine

C10H21NS — CID 155324401

IUPAC2-butylsulfanyl-4-methylpent-1-en-3-amine
SMILESC=C(SCCCC)C(N)C(C)C
InChIInChI=1S/C10H21NS/c1-5-6-7-12-9(4)10(11)8(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyYVCJYTLZFUVVSG-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.02
Rot. Bonds6

About 2-butylsulfanyl-4-methylpent-1-en-3-amine

2-butylsulfanyl-4-methylpent-1-en-3-amine (PubChem CID 155324401) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-butylsulfanyl-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name2-butylsulfanyl-4-methylpent-1-en-3-amine
PubChem CID155324401
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-butylsulfanyl-4-methylpent-1-en-3-amine
SMILESC=C(SCCCC)C(N)C(C)C
InChIInChI=1S/C10H21NS/c1-5-6-7-12-9(4)10(11)8(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyYVCJYTLZFUVVSG-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-4-methylpent-1-en-3-amine?
The IUPAC name of 2-butylsulfanyl-4-methylpent-1-en-3-amine (CID 155324401) is 2-butylsulfanyl-4-methylpent-1-en-3-amine.
What is the SMILES notation for 2-butylsulfanyl-4-methylpent-1-en-3-amine?
The canonical SMILES for 2-butylsulfanyl-4-methylpent-1-en-3-amine is C=C(SCCCC)C(N)C(C)C.
What is the InChIKey of 2-butylsulfanyl-4-methylpent-1-en-3-amine?
The InChIKey is YVCJYTLZFUVVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-7-12-9(4)10(11)8(2)3/h8,10H,4-7,11H2,1-3H3.
What are the key properties of 2-butylsulfanyl-4-methylpent-1-en-3-amine?
2-butylsulfanyl-4-methylpent-1-en-3-amine has a molecular weight of 187.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-4-methylpent-1-en-3-amine is sourced from PubChem (CID 155324401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).