N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine

C16H22N2S — CID 135190286

IUPACN,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESCNC1CC=CC(C)=C1CC/N=C(\C)c1cccs1
InChIInChI=1S/C16H22N2S/c1-12-6-4-7-15(17-3)14(12)9-10-18-13(2)16-8-5-11-19-16/h4-6,8,11,15,17H,7,9-10H2,1-3H3/b18-13+
InChIKeyXDPBOIRIUWKIDN-QGOAFFKASA-N
MW274.43 g/mol
LogP3.81
Rot. Bonds5

About N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine

N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine (PubChem CID 135190286) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
PubChem CID135190286
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESCNC1CC=CC(C)=C1CC/N=C(\C)c1cccs1
InChIInChI=1S/C16H22N2S/c1-12-6-4-7-15(17-3)14(12)9-10-18-13(2)16-8-5-11-19-16/h4-6,8,11,15,17H,7,9-10H2,1-3H3/b18-13+
InChIKeyXDPBOIRIUWKIDN-QGOAFFKASA-N
XLogP3.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine (CID 135190286) is N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine is CNC1CC=CC(C)=C1CC/N=C(\C)c1cccs1.
What is the InChIKey of N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is XDPBOIRIUWKIDN-QGOAFFKASA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-6-4-7-15(17-3)14(12)9-10-18-13(2)16-8-5-11-19-16/h4-6,8,11,15,17H,7,9-10H2,1-3H3/b18-13+.
What are the key properties of N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 274.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 135190286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).