N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane

C11H16N2 — CID 144881614

IUPACN-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane
SMILESCCC.[H]/N=C/N=C1\C=CC=CC1=C
InChIInChI=1S/C8H8N2.C3H8/c1-7-4-2-3-5-8(7)10-6-9;1-3-2/h2-6,9H,1H2;3H2,1-2H3/b9-6+,10-8+;
InChIKeyNFGWLEAEOCNCLS-SOLPIYCBSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds1

About N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane

N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane (PubChem CID 144881614) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane.

Molecular Properties

Compound NameN-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane
PubChem CID144881614
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane
SMILESCCC.[H]/N=C/N=C1\C=CC=CC1=C
InChIInChI=1S/C8H8N2.C3H8/c1-7-4-2-3-5-8(7)10-6-9;1-3-2/h2-6,9H,1H2;3H2,1-2H3/b9-6+,10-8+;
InChIKeyNFGWLEAEOCNCLS-SOLPIYCBSA-N
XLogP3.13
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane?
The IUPAC name of N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane (CID 144881614) is N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane.
What is the SMILES notation for N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane?
The canonical SMILES for N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane is CCC.[H]/N=C/N=C1\C=CC=CC1=C.
What is the InChIKey of N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane?
The InChIKey is NFGWLEAEOCNCLS-SOLPIYCBSA-N. The full InChI is InChI=1S/C8H8N2.C3H8/c1-7-4-2-3-5-8(7)10-6-9;1-3-2/h2-6,9H,1H2;3H2,1-2H3/b9-6+,10-8+;.
What are the key properties of N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane?
N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane has a molecular weight of 176.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane is sourced from PubChem (CID 144881614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).