N-amino-N'-cyclohexylquinoline-6-carboximidamide

C16H20N4 — CID 62875588

IUPACN-amino-N'-cyclohexylquinoline-6-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N4/c17-20-16(19-14-6-2-1-3-7-14)13-8-9-15-12(11-13)5-4-10-18-15/h4-5,8-11,14H,1-3,6-7,17H2,(H,19,20)
InChIKeyXNMBNDIOAIMBCS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.78
Rot. Bonds2

About N-amino-N'-cyclohexylquinoline-6-carboximidamide

N-amino-N'-cyclohexylquinoline-6-carboximidamide (PubChem CID 62875588) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-amino-N'-cyclohexylquinoline-6-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexylquinoline-6-carboximidamide
PubChem CID62875588
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-amino-N'-cyclohexylquinoline-6-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N4/c17-20-16(19-14-6-2-1-3-7-14)13-8-9-15-12(11-13)5-4-10-18-15/h4-5,8-11,14H,1-3,6-7,17H2,(H,19,20)
InChIKeyXNMBNDIOAIMBCS-UHFFFAOYSA-N
XLogP2.78
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-cyclohexylquinoline-6-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexylquinoline-6-carboximidamide (CID 62875588) is N-amino-N'-cyclohexylquinoline-6-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexylquinoline-6-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexylquinoline-6-carboximidamide is NN/C(=N\C1CCCCC1)c1ccc2ncccc2c1.
What is the InChIKey of N-amino-N'-cyclohexylquinoline-6-carboximidamide?
The InChIKey is XNMBNDIOAIMBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-20-16(19-14-6-2-1-3-7-14)13-8-9-15-12(11-13)5-4-10-18-15/h4-5,8-11,14H,1-3,6-7,17H2,(H,19,20).
What are the key properties of N-amino-N'-cyclohexylquinoline-6-carboximidamide?
N-amino-N'-cyclohexylquinoline-6-carboximidamide has a molecular weight of 268.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexylquinoline-6-carboximidamide is sourced from PubChem (CID 62875588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).