2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine

C10H14N2 — CID 126608140

IUPAC2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
SMILES[H]/N=C/C1=C(N)C=CC(C)(C)C=C1
InChIInChI=1S/C10H14N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-7,11H,12H2,1-2H3/b11-7+
InChIKeyWMWWWNOICGOXHS-YRNVUSSQSA-N
MW162.24 g/mol
LogP2.00
Rot. Bonds1

About 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine

2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 126608140) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
PubChem CID126608140
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
SMILES[H]/N=C/C1=C(N)C=CC(C)(C)C=C1
InChIInChI=1S/C10H14N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-7,11H,12H2,1-2H3/b11-7+
InChIKeyWMWWWNOICGOXHS-YRNVUSSQSA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine (CID 126608140) is 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine is [H]/N=C/C1=C(N)C=CC(C)(C)C=C1.
What is the InChIKey of 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is WMWWWNOICGOXHS-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-7,11H,12H2,1-2H3/b11-7+.
What are the key properties of 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 126608140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).