(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine

C11H23NS — CID 155448890

IUPAC(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine
SMILESCCCS/C(=C\NCC)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-6-8-13-10(9-12-7-2)11(3,4)5/h9,12H,6-8H2,1-5H3/b10-9-
InChIKeyQOFSDQWPGHQTMS-KTKRTIGZSA-N
MW201.38 g/mol
LogP3.63
Rot. Bonds5

About (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine

(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine (PubChem CID 155448890) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine
PubChem CID155448890
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine
SMILESCCCS/C(=C\NCC)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-6-8-13-10(9-12-7-2)11(3,4)5/h9,12H,6-8H2,1-5H3/b10-9-
InChIKeyQOFSDQWPGHQTMS-KTKRTIGZSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine (CID 155448890) is (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine is CCCS/C(=C\NCC)C(C)(C)C.
What is the InChIKey of (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine?
The InChIKey is QOFSDQWPGHQTMS-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-8-13-10(9-12-7-2)11(3,4)5/h9,12H,6-8H2,1-5H3/b10-9-.
What are the key properties of (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine?
(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 155448890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).