1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine

C11H18N2 — CID 123192867

IUPAC1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine
SMILESCNNCC1=CC(C)(C)C=CC=C1
InChIInChI=1S/C11H18N2/c1-11(2)7-5-4-6-10(8-11)9-13-12-3/h4-8,12-13H,9H2,1-3H3
InChIKeyYBHJOJWOZPWNAP-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine

1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine (PubChem CID 123192867) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine
PubChem CID123192867
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine
SMILESCNNCC1=CC(C)(C)C=CC=C1
InChIInChI=1S/C11H18N2/c1-11(2)7-5-4-6-10(8-11)9-13-12-3/h4-8,12-13H,9H2,1-3H3
InChIKeyYBHJOJWOZPWNAP-UHFFFAOYSA-N
XLogP1.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine 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

1-(2-fluoroethyl)-2-[(Z)-2-methylidenepent-3-enyl]hydrazine
CID 170076809
1-(2-Fluoroethyl)-2-(2-methylidenepent-3-enyl)hydrazine
CID 174096071
[(Z,2E)-2-prop-2-enylidenehex-3-enyl]hydrazine
CID 87415364
[(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraenyl]hydrazine
CID 89118333
1-methyl-2-[(4Z,6Z)-3-methylideneocta-4,6-dienyl]hydrazine
CID 89140481
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-methylhydrazine
CID 89324381
[(3Z)-5-methylhexa-3,5-dien-2-yl]hydrazine
CID 90291952
[(E)-2-ethenylbut-2-enyl]hydrazine
CID 117951228
[(3Z,4Z)-3-ethylidene-6-methylhepta-4,6-dienyl]hydrazine
CID 118362887
1-[(Z)-2-methylidenehex-3-enyl]-2-prop-2-enylhydrazine
CID 121419922
2-[(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine
CID 123223270
(3-Ethylidene-6-methylhepta-4,6-dienyl)hydrazine
CID 123550909

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine?
The IUPAC name of 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine (CID 123192867) is 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine.
What is the SMILES notation for 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine?
The canonical SMILES for 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine is CNNCC1=CC(C)(C)C=CC=C1.
What is the InChIKey of 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine?
The InChIKey is YBHJOJWOZPWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2)7-5-4-6-10(8-11)9-13-12-3/h4-8,12-13H,9H2,1-3H3.
What are the key properties of 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine?
1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine has a molecular weight of 178.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine is sourced from PubChem (CID 123192867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).