2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine

C10H18N2 — CID 66908658

IUPAC2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine
SMILESC/N=C(\C)C1=C(N)CCCCC1
InChIInChI=1S/C10H18N2/c1-8(12-2)9-6-4-3-5-7-10(9)11/h3-7,11H2,1-2H3/b12-8+
InChIKeyZZGKZURGFZBEFD-XYOKQWHBSA-N
MW166.27 g/mol
LogP2.25
Rot. Bonds1

About 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine

2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine (PubChem CID 66908658) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine.

Molecular Properties

Compound Name2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine
PubChem CID66908658
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine
SMILESC/N=C(\C)C1=C(N)CCCCC1
InChIInChI=1S/C10H18N2/c1-8(12-2)9-6-4-3-5-7-10(9)11/h3-7,11H2,1-2H3/b12-8+
InChIKeyZZGKZURGFZBEFD-XYOKQWHBSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine?
The IUPAC name of 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine (CID 66908658) is 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine.
What is the SMILES notation for 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine?
The canonical SMILES for 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine is C/N=C(\C)C1=C(N)CCCCC1.
What is the InChIKey of 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine?
The InChIKey is ZZGKZURGFZBEFD-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(12-2)9-6-4-3-5-7-10(9)11/h3-7,11H2,1-2H3/b12-8+.
What are the key properties of 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine?
2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine is sourced from PubChem (CID 66908658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).