(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine

C10H21NS — CID 118617237

IUPAC(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
SMILESC/C=C(/CCN(C)CC)SCC
InChIInChI=1S/C10H21NS/c1-5-10(12-7-3)8-9-11(4)6-2/h5H,6-9H2,1-4H3/b10-5-
InChIKeyHLGYFQVAZQWAQB-YHYXMXQVSA-N
MW187.35 g/mol
LogP2.99
Rot. Bonds6

About (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine

(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine (PubChem CID 118617237) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
PubChem CID118617237
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
SMILESC/C=C(/CCN(C)CC)SCC
InChIInChI=1S/C10H21NS/c1-5-10(12-7-3)8-9-11(4)6-2/h5H,6-9H2,1-4H3/b10-5-
InChIKeyHLGYFQVAZQWAQB-YHYXMXQVSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine (CID 118617237) is (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine is C/C=C(/CCN(C)CC)SCC.
What is the InChIKey of (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine?
The InChIKey is HLGYFQVAZQWAQB-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10(12-7-3)8-9-11(4)6-2/h5H,6-9H2,1-4H3/b10-5-.
What are the key properties of (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine?
(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine is sourced from PubChem (CID 118617237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).