4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine

C10H21NS — CID 155084789

IUPAC4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine
SMILESC=C(C)CC(CSC)NC(C)C
InChIInChI=1S/C10H21NS/c1-8(2)6-10(7-12-5)11-9(3)4/h9-11H,1,6-7H2,2-5H3
InChIKeyOIPGYEOKJAQYAP-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds6

About 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine

4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine (PubChem CID 155084789) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine
PubChem CID155084789
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine
SMILESC=C(C)CC(CSC)NC(C)C
InChIInChI=1S/C10H21NS/c1-8(2)6-10(7-12-5)11-9(3)4/h9-11H,1,6-7H2,2-5H3
InChIKeyOIPGYEOKJAQYAP-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 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 ≤ 52.68
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-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine?
The IUPAC name of 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine (CID 155084789) is 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine is C=C(C)CC(CSC)NC(C)C.
What is the InChIKey of 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine?
The InChIKey is OIPGYEOKJAQYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)6-10(7-12-5)11-9(3)4/h9-11H,1,6-7H2,2-5H3.
What are the key properties of 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine?
4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfanyl-N-propan-2-ylpent-4-en-2-amine is sourced from PubChem (CID 155084789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).