N-amino-N'-cyclopentylquinoline-8-carboximidamide

C15H18N4 — CID 55126699

IUPACN-amino-N'-cyclopentylquinoline-8-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1cccc2cccnc12
InChIInChI=1S/C15H18N4/c16-19-15(18-12-7-1-2-8-12)13-9-3-5-11-6-4-10-17-14(11)13/h3-6,9-10,12H,1-2,7-8,16H2,(H,18,19)
InChIKeyWEPHETCUKFBAED-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.39
Rot. Bonds2

About N-amino-N'-cyclopentylquinoline-8-carboximidamide

N-amino-N'-cyclopentylquinoline-8-carboximidamide (PubChem CID 55126699) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentylquinoline-8-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentylquinoline-8-carboximidamide
PubChem CID55126699
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-amino-N'-cyclopentylquinoline-8-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1cccc2cccnc12
InChIInChI=1S/C15H18N4/c16-19-15(18-12-7-1-2-8-12)13-9-3-5-11-6-4-10-17-14(11)13/h3-6,9-10,12H,1-2,7-8,16H2,(H,18,19)
InChIKeyWEPHETCUKFBAED-UHFFFAOYSA-N
XLogP2.39
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.39
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'-cyclopentylquinoline-8-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentylquinoline-8-carboximidamide (CID 55126699) is N-amino-N'-cyclopentylquinoline-8-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentylquinoline-8-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentylquinoline-8-carboximidamide is NN/C(=N\C1CCCC1)c1cccc2cccnc12.
What is the InChIKey of N-amino-N'-cyclopentylquinoline-8-carboximidamide?
The InChIKey is WEPHETCUKFBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-19-15(18-12-7-1-2-8-12)13-9-3-5-11-6-4-10-17-14(11)13/h3-6,9-10,12H,1-2,7-8,16H2,(H,18,19).
What are the key properties of N-amino-N'-cyclopentylquinoline-8-carboximidamide?
N-amino-N'-cyclopentylquinoline-8-carboximidamide has a molecular weight of 254.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentylquinoline-8-carboximidamide is sourced from PubChem (CID 55126699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).