ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

C12H20N2 — CID 170980463

IUPACethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=C(C)C=C/C1=N/N(C)C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-8-5-6-10(9(2)7-8)11-12(3)4;1-2/h5-7H,2H2,1,3-4H3;1-2H3/b11-10-;
InChIKeySMFXODIYWTUIHT-GMFCBQQYSA-N
MW192.31 g/mol
LogP3.00
Rot. Bonds1

About ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 170980463) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID170980463
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=C(C)C=C/C1=N/N(C)C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-8-5-6-10(9(2)7-8)11-12(3)4;1-2/h5-7H,2H2,1,3-4H3;1-2H3/b11-10-;
InChIKeySMFXODIYWTUIHT-GMFCBQQYSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-cyclohex-2-en-1-ylideneamino]-N-methylmethanamine
CID 12469004
N-methyl-N-[(E)-6-methylhept-5-en-2-ylideneamino]methanamine
CID 88744891
2-Ethyl-3-lithioindazole
CID 129784904
3-Lithio-2-methylindazole
CID 129785340
N-[(Z)-(3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]-N-methylmethanamine
CID 172304025
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
N-methyl-N-(6-methylhept-5-en-2-ylideneamino)methanamine
CID 85990236
N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 89267454
1-N,2-N,3-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89378852
N-[[6-(dimethylhydrazinylidene)cyclohexa-2,4-dien-1-ylidene]amino]-N-methylmethanamine
CID 89455981
N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine
CID 90141646
[4-[5-(4-Dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)penta-1,3-dienyl]cyclohexa-2,4-dien-1-ylidene]-dimethylazanium
CID 91024449

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 170980463) is ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is C=C1C=C(C)C=C/C1=N/N(C)C.CC.
What is the InChIKey of ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is SMFXODIYWTUIHT-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-8-5-6-10(9(2)7-8)11-12(3)4;1-2/h5-7H,2H2,1,3-4H3;1-2H3/b11-10-;.
What are the key properties of ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 192.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 170980463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).