N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine

C14H18ClN3 — CID 113294708

IUPACN-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C)(C)CCl
InChIInChI=1S/C14H18ClN3/c1-10-13(16-9-14(2,3)8-15)18-12-7-5-4-6-11(12)17-10/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyHUYYIZHEOMLJLL-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.62
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine

N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine (PubChem CID 113294708) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine
PubChem CID113294708
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C)(C)CCl
InChIInChI=1S/C14H18ClN3/c1-10-13(16-9-14(2,3)8-15)18-12-7-5-4-6-11(12)17-10/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyHUYYIZHEOMLJLL-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine (CID 113294708) is N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(C)(C)CCl.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine?
The InChIKey is HUYYIZHEOMLJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-13(16-9-14(2,3)8-15)18-12-7-5-4-6-11(12)17-10/h4-7H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine?
N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 113294708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).