N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine

C16H20ClN3 — CID 102871425

IUPACN-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1N(CCCCl)C1CCC1
InChIInChI=1S/C16H20ClN3/c1-12-16(19-15-9-3-2-8-14(15)18-12)20(11-5-10-17)13-6-4-7-13/h2-3,8-9,13H,4-7,10-11H2,1H3
InChIKeyPXMLXKRIXDRDBV-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.93
Rot. Bonds5

About N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine

N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine (PubChem CID 102871425) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
PubChem CID102871425
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1N(CCCCl)C1CCC1
InChIInChI=1S/C16H20ClN3/c1-12-16(19-15-9-3-2-8-14(15)18-12)20(11-5-10-17)13-6-4-7-13/h2-3,8-9,13H,4-7,10-11H2,1H3
InChIKeyPXMLXKRIXDRDBV-UHFFFAOYSA-N
XLogP3.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
CID 63388883
N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
CID 102871457
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N-(2-chloroethyl)-N-cyclobutyl-4-methylphthalazin-1-amine
CID 102871697
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 102874684
N-(2-chloroethyl)-N-cyclohexyl-4-methylphthalazin-1-amine
CID 63388318
N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 55174769
3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
CID 43541407
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine (CID 102871425) is N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine?
The InChIKey is PXMLXKRIXDRDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-16(19-15-9-3-2-8-14(15)18-12)20(11-5-10-17)13-6-4-7-13/h2-3,8-9,13H,4-7,10-11H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine?
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine is sourced from PubChem (CID 102871425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).