4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine

C10H21NS — CID 79177506

IUPAC4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
SMILESCC(C)=CC(N)CSCC(C)C
InChIInChI=1S/C10H21NS/c1-8(2)5-10(11)7-12-6-9(3)4/h5,9-10H,6-7,11H2,1-4H3
InChIKeyRSFWXXBJZQNDBW-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.67
Rot. Bonds5

About 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine

4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine (PubChem CID 79177506) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
PubChem CID79177506
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
SMILESCC(C)=CC(N)CSCC(C)C
InChIInChI=1S/C10H21NS/c1-8(2)5-10(11)7-12-6-9(3)4/h5,9-10H,6-7,11H2,1-4H3
InChIKeyRSFWXXBJZQNDBW-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.67
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-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine (CID 79177506) is 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine is CC(C)=CC(N)CSCC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The InChIKey is RSFWXXBJZQNDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)5-10(11)7-12-6-9(3)4/h5,9-10H,6-7,11H2,1-4H3.
What are the key properties of 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine is sourced from PubChem (CID 79177506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).