(Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine

C9H19NS — CID 146640692

IUPAC(Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine
SMILESCCS/C(=C\NC)C(C)(C)C
InChIInChI=1S/C9H19NS/c1-6-11-8(7-10-5)9(2,3)4/h7,10H,6H2,1-5H3/b8-7-
InChIKeyCDQLFAJSSQKUEX-FPLPWBNLSA-N
MW173.32 g/mol
LogP2.85
Rot. Bonds3

About (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine

(Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine (PubChem CID 146640692) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine
PubChem CID146640692
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine
SMILESCCS/C(=C\NC)C(C)(C)C
InChIInChI=1S/C9H19NS/c1-6-11-8(7-10-5)9(2,3)4/h7,10H,6H2,1-5H3/b8-7-
InChIKeyCDQLFAJSSQKUEX-FPLPWBNLSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine?
The IUPAC name of (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine (CID 146640692) is (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine is CCS/C(=C\NC)C(C)(C)C.
What is the InChIKey of (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine?
The InChIKey is CDQLFAJSSQKUEX-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H19NS/c1-6-11-8(7-10-5)9(2,3)4/h7,10H,6H2,1-5H3/b8-7-.
What are the key properties of (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine?
(Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylsulfanyl-N,3,3-trimethylbut-1-en-1-amine is sourced from PubChem (CID 146640692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).