(3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide

C15H22N4O — CID 163553251

IUPAC(3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)/C=c1/cc(NC)cc/c1=C/C=NCN
InChIInChI=1S/C15H22N4O/c1-11(15(20)18-3)8-13-9-14(17-2)5-4-12(13)6-7-19-10-16/h4-9,11,17H,10,16H2,1-3H3,(H,18,20)/b12-6-,13-8-,19-7?
InChIKeyFKWDHCLPBCRDGS-MOGBUBNBSA-N
MW274.37 g/mol
LogP-0.34
Rot. Bonds5

About (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide

(3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide (PubChem CID 163553251) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide
PubChem CID163553251
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)/C=c1/cc(NC)cc/c1=C/C=NCN
InChIInChI=1S/C15H22N4O/c1-11(15(20)18-3)8-13-9-14(17-2)5-4-12(13)6-7-19-10-16/h4-9,11,17H,10,16H2,1-3H3,(H,18,20)/b12-6-,13-8-,19-7?
InChIKeyFKWDHCLPBCRDGS-MOGBUBNBSA-N
XLogP-0.34
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 163657374
CID 163657374
CID 170211815
CID 170211815
CID 170243853
CID 170243853
CID 168006176
CID 168006176
CID 171559180
CID 171559180

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide?
The IUPAC name of (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide (CID 163553251) is (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide.
What is the SMILES notation for (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide?
The canonical SMILES for (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide is CNC(=O)C(C)/C=c1/cc(NC)cc/c1=C/C=NCN.
What is the InChIKey of (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide?
The InChIKey is FKWDHCLPBCRDGS-MOGBUBNBSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(15(20)18-3)8-13-9-14(17-2)5-4-12(13)6-7-19-10-16/h4-9,11,17H,10,16H2,1-3H3,(H,18,20)/b12-6-,13-8-,19-7?.
What are the key properties of (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide?
(3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide has a molecular weight of 274.37 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(6Z)-6-[2-(aminomethylimino)ethylidene]-3-(methylamino)cyclohexa-2,4-dien-1-ylidene]-N,2-dimethylpropanamide is sourced from PubChem (CID 163553251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).