(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine

C9H21NS — CID 174286816

IUPAC(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
SMILESCCS(C)(C)/C=C/CN(C)C
InChIInChI=1S/C9H21NS/c1-6-11(4,5)9-7-8-10(2)3/h7,9H,6,8H2,1-5H3/b9-7+
InChIKeyMUWYBGSCDXUIQB-VQHVLOKHSA-N
MW175.34 g/mol
LogP2.15
Rot. Bonds4

About (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine

(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine (PubChem CID 174286816) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
PubChem CID174286816
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
SMILESCCS(C)(C)/C=C/CN(C)C
InChIInChI=1S/C9H21NS/c1-6-11(4,5)9-7-8-10(2)3/h7,9H,6,8H2,1-5H3/b9-7+
InChIKeyMUWYBGSCDXUIQB-VQHVLOKHSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine (CID 174286816) is (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine is CCS(C)(C)/C=C/CN(C)C.
What is the InChIKey of (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine?
The InChIKey is MUWYBGSCDXUIQB-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H21NS/c1-6-11(4,5)9-7-8-10(2)3/h7,9H,6,8H2,1-5H3/b9-7+.
What are the key properties of (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine?
(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 174286816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).