(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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Launch Full Analysis

Related Compounds

(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine
CID 126626583
(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
CID 129207404
(Z)-N,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
CID 130224145
(Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine
CID 134383468
5-Tert-butyl-2,3-dihydro-1,3-thiazole
CID 134432305
(E)-N-[3-(2,2-dimethylpropylsulfanyl)propyl]-2,3,3-trimethylbut-1-en-1-amine
CID 138623006
(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine
CID 138705409
ethane;(Z)-2-ethylsulfanyl-N-methylprop-1-en-1-amine
CID 143182248
Ethane;5-ethyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 143886033
(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine
CID 155329752
(Z)-N-ethyl-3,3-dimethyl-2-propylsulfanylbut-1-en-1-amine
CID 155448890
(Z)-3,3-dimethyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
CID 156714234

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).