N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine

C13H15N3 — CID 130294574

IUPACN-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)\C=C/C(=C)/C=N\C=N/C1
InChIInChI=1S/C13H15N3/c1-11-4-5-12(2)13(6-7-14-3)9-16-10-15-8-11/h4-8,10H,1,3,9H2,2H3/b5-4-,7-6-,13-12-,15-8-,16-10-
InChIKeyIHSPXZSPSCLXAM-KDGVKJBUSA-N
MW213.28 g/mol
LogP2.74
Rot. Bonds2

About N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine

N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine (PubChem CID 130294574) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine
PubChem CID130294574
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)\C=C/C(=C)/C=N\C=N/C1
InChIInChI=1S/C13H15N3/c1-11-4-5-12(2)13(6-7-14-3)9-16-10-15-8-11/h4-8,10H,1,3,9H2,2H3/b5-4-,7-6-,13-12-,15-8-,16-10-
InChIKeyIHSPXZSPSCLXAM-KDGVKJBUSA-N
XLogP2.74
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine with MolForge

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Related Compounds

(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
(2E,4Z)-N-ethenyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 89278501
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025
(2E)-N-ethenyl-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 89502553
5-Ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
CID 90709637
N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
CID 90722831

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine (CID 130294574) is N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine is C=N/C=C\C1=C(C)\C=C/C(=C)/C=N\C=N/C1.
What is the InChIKey of N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine?
The InChIKey is IHSPXZSPSCLXAM-KDGVKJBUSA-N. The full InChI is InChI=1S/C13H15N3/c1-11-4-5-12(2)13(6-7-14-3)9-16-10-15-8-11/h4-8,10H,1,3,9H2,2H3/b5-4-,7-6-,13-12-,15-8-,16-10-.
What are the key properties of N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine?
N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine has a molecular weight of 213.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine is sourced from PubChem (CID 130294574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).