4-methylsulfanyl-N-propylpent-4-en-2-amine

C9H19NS — CID 123882438

IUPAC4-methylsulfanyl-N-propylpent-4-en-2-amine
SMILESC=C(CC(C)NCCC)SC
InChIInChI=1S/C9H19NS/c1-5-6-10-8(2)7-9(3)11-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyMJJMSYPFQOZHQQ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.64
Rot. Bonds6

About 4-methylsulfanyl-N-propylpent-4-en-2-amine

4-methylsulfanyl-N-propylpent-4-en-2-amine (PubChem CID 123882438) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-propylpent-4-en-2-amine
PubChem CID123882438
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-methylsulfanyl-N-propylpent-4-en-2-amine
SMILESC=C(CC(C)NCCC)SC
InChIInChI=1S/C9H19NS/c1-5-6-10-8(2)7-9(3)11-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyMJJMSYPFQOZHQQ-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propylpent-4-en-2-amine?
The IUPAC name of 4-methylsulfanyl-N-propylpent-4-en-2-amine (CID 123882438) is 4-methylsulfanyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-propylpent-4-en-2-amine is C=C(CC(C)NCCC)SC.
What is the InChIKey of 4-methylsulfanyl-N-propylpent-4-en-2-amine?
The InChIKey is MJJMSYPFQOZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-6-10-8(2)7-9(3)11-4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of 4-methylsulfanyl-N-propylpent-4-en-2-amine?
4-methylsulfanyl-N-propylpent-4-en-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propylpent-4-en-2-amine is sourced from PubChem (CID 123882438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).