(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine

C12H25NS — CID 139538978

IUPAC(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
SMILESCC/C=C(\SCCC)N(CC)CCC
InChIInChI=1S/C12H25NS/c1-5-9-12(14-11-7-3)13(8-4)10-6-2/h9H,5-8,10-11H2,1-4H3/b12-9-
InChIKeyWKCAMUKQNFMQDI-XFXZXTDPSA-N
MW215.41 g/mol
LogP4.11
Rot. Bonds8

About (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine

(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine (PubChem CID 139538978) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
PubChem CID139538978
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
SMILESCC/C=C(\SCCC)N(CC)CCC
InChIInChI=1S/C12H25NS/c1-5-9-12(14-11-7-3)13(8-4)10-6-2/h9H,5-8,10-11H2,1-4H3/b12-9-
InChIKeyWKCAMUKQNFMQDI-XFXZXTDPSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine (CID 139538978) is (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine is CC/C=C(\SCCC)N(CC)CCC.
What is the InChIKey of (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine?
The InChIKey is WKCAMUKQNFMQDI-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-9-12(14-11-7-3)13(8-4)10-6-2/h9H,5-8,10-11H2,1-4H3/b12-9-.
What are the key properties of (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine?
(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine has a molecular weight of 215.41 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 139538978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).