N-amino-N'-cyclopropylquinoline-2-carboximidamide

C13H14N4 — CID 61362514

IUPACN-amino-N'-cyclopropylquinoline-2-carboximidamide
SMILESNN/C(=N\C1CC1)c1ccc2ccccc2n1
InChIInChI=1S/C13H14N4/c14-17-13(15-10-6-7-10)12-8-5-9-3-1-2-4-11(9)16-12/h1-5,8,10H,6-7,14H2,(H,15,17)
InChIKeyFWUDIOKJAJRVQW-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.61
Rot. Bonds2

About N-amino-N'-cyclopropylquinoline-2-carboximidamide

N-amino-N'-cyclopropylquinoline-2-carboximidamide (PubChem CID 61362514) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-amino-N'-cyclopropylquinoline-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropylquinoline-2-carboximidamide
PubChem CID61362514
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC NameN-amino-N'-cyclopropylquinoline-2-carboximidamide
SMILESNN/C(=N\C1CC1)c1ccc2ccccc2n1
InChIInChI=1S/C13H14N4/c14-17-13(15-10-6-7-10)12-8-5-9-3-1-2-4-11(9)16-12/h1-5,8,10H,6-7,14H2,(H,15,17)
InChIKeyFWUDIOKJAJRVQW-UHFFFAOYSA-N
XLogP1.61
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.61
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'-cyclopropylquinoline-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropylquinoline-2-carboximidamide (CID 61362514) is N-amino-N'-cyclopropylquinoline-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropylquinoline-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropylquinoline-2-carboximidamide is NN/C(=N\C1CC1)c1ccc2ccccc2n1.
What is the InChIKey of N-amino-N'-cyclopropylquinoline-2-carboximidamide?
The InChIKey is FWUDIOKJAJRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-17-13(15-10-6-7-10)12-8-5-9-3-1-2-4-11(9)16-12/h1-5,8,10H,6-7,14H2,(H,15,17).
What are the key properties of N-amino-N'-cyclopropylquinoline-2-carboximidamide?
N-amino-N'-cyclopropylquinoline-2-carboximidamide has a molecular weight of 226.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropylquinoline-2-carboximidamide is sourced from PubChem (CID 61362514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).