1-butylsulfanyl-N-ethyl-N-methylethenamine

C9H19NS — CID 142050758

IUPAC1-butylsulfanyl-N-ethyl-N-methylethenamine
SMILESC=C(SCCCC)N(C)CC
InChIInChI=1S/C9H19NS/c1-5-7-8-11-9(3)10(4)6-2/h3,5-8H2,1-2,4H3
InChIKeySKNIBJYLTDTKQG-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.94
Rot. Bonds6

About 1-butylsulfanyl-N-ethyl-N-methylethenamine

1-butylsulfanyl-N-ethyl-N-methylethenamine (PubChem CID 142050758) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-butylsulfanyl-N-ethyl-N-methylethenamine.

Molecular Properties

Compound Name1-butylsulfanyl-N-ethyl-N-methylethenamine
PubChem CID142050758
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-butylsulfanyl-N-ethyl-N-methylethenamine
SMILESC=C(SCCCC)N(C)CC
InChIInChI=1S/C9H19NS/c1-5-7-8-11-9(3)10(4)6-2/h3,5-8H2,1-2,4H3
InChIKeySKNIBJYLTDTKQG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
CID 13639643
1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
N-ethenyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 89719133
N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
CID 118346185
N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
CID 123138972
N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
CID 123347597
1-(1-butylthiiran-1-yl)-N,N-dimethylethenamine
CID 123743121
1-(1-Butylthiiran-1-yl)ethenyl-trimethylazanium
CID 123806529
1-but-2-ynylsulfanyl-N,N-dimethylethenamine
CID 126607413
N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine
CID 139381123
(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine
CID 139381372
N-ethyl-N-methyl-1-propylsulfanylethenamine
CID 142050793

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-N-ethyl-N-methylethenamine?
The IUPAC name of 1-butylsulfanyl-N-ethyl-N-methylethenamine (CID 142050758) is 1-butylsulfanyl-N-ethyl-N-methylethenamine.
What is the SMILES notation for 1-butylsulfanyl-N-ethyl-N-methylethenamine?
The canonical SMILES for 1-butylsulfanyl-N-ethyl-N-methylethenamine is C=C(SCCCC)N(C)CC.
What is the InChIKey of 1-butylsulfanyl-N-ethyl-N-methylethenamine?
The InChIKey is SKNIBJYLTDTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-7-8-11-9(3)10(4)6-2/h3,5-8H2,1-2,4H3.
What are the key properties of 1-butylsulfanyl-N-ethyl-N-methylethenamine?
1-butylsulfanyl-N-ethyl-N-methylethenamine has a molecular weight of 173.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-N-ethyl-N-methylethenamine is sourced from PubChem (CID 142050758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).