N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine

C15H19N3 — CID 113238855

IUPACN-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCCC1CC1
InChIInChI=1S/C15H19N3/c1-11-15(16-10-4-5-12-8-9-12)18-14-7-3-2-6-13(14)17-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIHRPDMBRKQMDFP-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.54
Rot. Bonds5

About N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine

N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine (PubChem CID 113238855) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
PubChem CID113238855
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCCC1CC1
InChIInChI=1S/C15H19N3/c1-11-15(16-10-4-5-12-8-9-12)18-14-7-3-2-6-13(14)17-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIHRPDMBRKQMDFP-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine (CID 113238855) is N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine?
The InChIKey is IHRPDMBRKQMDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-15(16-10-4-5-12-8-9-12)18-14-7-3-2-6-13(14)17-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine?
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 113238855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).