N-amino-N'-cycloheptyl-2-phenylethanimidamide

C15H23N3 — CID 61360529

IUPACN-amino-N'-cycloheptyl-2-phenylethanimidamide
SMILESNN/C(Cc1ccccc1)=N/C1CCCCCC1
InChIInChI=1S/C15H23N3/c16-18-15(12-13-8-4-3-5-9-13)17-14-10-6-1-2-7-11-14/h3-5,8-9,14H,1-2,6-7,10-12,16H2,(H,17,18)
InChIKeyVBGDQBLLABLIFR-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.81
Rot. Bonds3

About N-amino-N'-cycloheptyl-2-phenylethanimidamide

N-amino-N'-cycloheptyl-2-phenylethanimidamide (PubChem CID 61360529) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-2-phenylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-2-phenylethanimidamide
PubChem CID61360529
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-amino-N'-cycloheptyl-2-phenylethanimidamide
SMILESNN/C(Cc1ccccc1)=N/C1CCCCCC1
InChIInChI=1S/C15H23N3/c16-18-15(12-13-8-4-3-5-9-13)17-14-10-6-1-2-7-11-14/h3-5,8-9,14H,1-2,6-7,10-12,16H2,(H,17,18)
InChIKeyVBGDQBLLABLIFR-UHFFFAOYSA-N
XLogP2.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-2-phenylethanimidamide?
The IUPAC name of N-amino-N'-cycloheptyl-2-phenylethanimidamide (CID 61360529) is N-amino-N'-cycloheptyl-2-phenylethanimidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-2-phenylethanimidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-2-phenylethanimidamide is NN/C(Cc1ccccc1)=N/C1CCCCCC1.
What is the InChIKey of N-amino-N'-cycloheptyl-2-phenylethanimidamide?
The InChIKey is VBGDQBLLABLIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-18-15(12-13-8-4-3-5-9-13)17-14-10-6-1-2-7-11-14/h3-5,8-9,14H,1-2,6-7,10-12,16H2,(H,17,18).
What are the key properties of N-amino-N'-cycloheptyl-2-phenylethanimidamide?
N-amino-N'-cycloheptyl-2-phenylethanimidamide has a molecular weight of 245.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-2-phenylethanimidamide is sourced from PubChem (CID 61360529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).