N,N-diethyl-2-prop-2-enylsulfanylethanamine

C9H19NS — CID 4062140

IUPACN,N-diethyl-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCN(CC)CC
InChIInChI=1S/C9H19NS/c1-4-8-11-9-7-10(5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyACCKVBFIIDTXNW-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.25
Rot. Bonds7

About N,N-diethyl-2-prop-2-enylsulfanylethanamine

N,N-diethyl-2-prop-2-enylsulfanylethanamine (PubChem CID 4062140) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N,N-diethyl-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-prop-2-enylsulfanylethanamine
PubChem CID4062140
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN,N-diethyl-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCN(CC)CC
InChIInChI=1S/C9H19NS/c1-4-8-11-9-7-10(5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyACCKVBFIIDTXNW-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N,N-diethyl-2-prop-2-enylsulfanylethanamine (CID 4062140) is N,N-diethyl-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-prop-2-enylsulfanylethanamine is C=CCSCCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-prop-2-enylsulfanylethanamine?
The InChIKey is ACCKVBFIIDTXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-8-11-9-7-10(5-2)6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of N,N-diethyl-2-prop-2-enylsulfanylethanamine?
N,N-diethyl-2-prop-2-enylsulfanylethanamine has a molecular weight of 173.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 4062140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).