(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine

C16H24N2S — CID 178091309

IUPAC(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine
SMILESC=C/C(CCN(C)CC)=C1/C(SC)=CC=C/C1=N\C
InChIInChI=1S/C16H24N2S/c1-6-13(11-12-18(4)7-2)16-14(17-3)9-8-10-15(16)19-5/h6,8-10H,1,7,11-12H2,2-5H3/b16-13-,17-14+
InChIKeyWYWSXWKQYJXYKE-FEUFJANWSA-N
MW276.45 g/mol
LogP3.70
Rot. Bonds6

About (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine

(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine (PubChem CID 178091309) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine
PubChem CID178091309
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine
SMILESC=C/C(CCN(C)CC)=C1/C(SC)=CC=C/C1=N\C
InChIInChI=1S/C16H24N2S/c1-6-13(11-12-18(4)7-2)16-14(17-3)9-8-10-15(16)19-5/h6,8-10H,1,7,11-12H2,2-5H3/b16-13-,17-14+
InChIKeyWYWSXWKQYJXYKE-FEUFJANWSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-N-methyl-4-methylidene-2-N-[(Z)-2-methylidene-3-methylsulfanylpent-3-enyl]hept-5-ene-2,3-diimine
CID 117829412
[4-[2-(2-Butylthiopyran-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
CID 154478479
ethane;(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine
CID 178091308
2-N-methyl-3-methylsulfanyl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 142047902
5-(3-butylsulfanyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 159577909
1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine
CID 159732644

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine?
The IUPAC name of (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine (CID 178091309) is (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine.
What is the SMILES notation for (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine?
The canonical SMILES for (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine is C=C/C(CCN(C)CC)=C1/C(SC)=CC=C/C1=N\C.
What is the InChIKey of (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine?
The InChIKey is WYWSXWKQYJXYKE-FEUFJANWSA-N. The full InChI is InChI=1S/C16H24N2S/c1-6-13(11-12-18(4)7-2)16-14(17-3)9-8-10-15(16)19-5/h6,8-10H,1,7,11-12H2,2-5H3/b16-13-,17-14+.
What are the key properties of (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine?
(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine has a molecular weight of 276.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine is sourced from PubChem (CID 178091309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).