N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine

C9H19NS — CID 88870045

IUPACN-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C)CC
InChIInChI=1S/C9H19NS/c1-5-9(7-8-11-4)10(3)6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyKZJFTMMYNLAGEF-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.25
Rot. Bonds6

About N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine

N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88870045) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID88870045
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C)CC
InChIInChI=1S/C9H19NS/c1-5-9(7-8-11-4)10(3)6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyKZJFTMMYNLAGEF-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
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 N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine (CID 88870045) is N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine is C=CC(CCSC)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is KZJFTMMYNLAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-9(7-8-11-4)10(3)6-2/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine?
N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88870045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).