N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide

C10H13N3 — CID 143217353

IUPACN-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide
SMILESCC1=CC=C(/N=C/N=C/N)C=CC1
InChIInChI=1S/C10H13N3/c1-9-3-2-4-10(6-5-9)13-8-12-7-11/h2,4-8H,3H2,1H3,(H2,11,12,13)
InChIKeyCDPLICQPVYAZRR-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.79
Rot. Bonds2

About N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide

N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide (PubChem CID 143217353) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide
PubChem CID143217353
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide
SMILESCC1=CC=C(/N=C/N=C/N)C=CC1
InChIInChI=1S/C10H13N3/c1-9-3-2-4-10(6-5-9)13-8-12-7-11/h2,4-8H,3H2,1H3,(H2,11,12,13)
InChIKeyCDPLICQPVYAZRR-UHFFFAOYSA-N
XLogP1.79
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.79
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-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide 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'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide?
The IUPAC name of N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide (CID 143217353) is N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide?
The canonical SMILES for N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide is CC1=CC=C(/N=C/N=C/N)C=CC1.
What is the InChIKey of N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide?
The InChIKey is CDPLICQPVYAZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-9-3-2-4-10(6-5-9)13-8-12-7-11/h2,4-8H,3H2,1H3,(H2,11,12,13).
What are the key properties of N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide?
N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide has a molecular weight of 175.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-(4-methylcyclohepta-1,3,6-trien-1-yl)methanimidamide is sourced from PubChem (CID 143217353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).