N-(quinoxalin-6-ylmethyl)propan-2-amine

C12H15N3 — CID 62848682

IUPACN-(quinoxalin-6-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccc2nccnc2c1
InChIInChI=1S/C12H15N3/c1-9(2)15-8-10-3-4-11-12(7-10)14-6-5-13-11/h3-7,9,15H,8H2,1-2H3
InChIKeyQVQZTVNFSNOFQS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds3

About N-(quinoxalin-6-ylmethyl)propan-2-amine

N-(quinoxalin-6-ylmethyl)propan-2-amine (PubChem CID 62848682) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(quinoxalin-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(quinoxalin-6-ylmethyl)propan-2-amine
PubChem CID62848682
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(quinoxalin-6-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccc2nccnc2c1
InChIInChI=1S/C12H15N3/c1-9(2)15-8-10-3-4-11-12(7-10)14-6-5-13-11/h3-7,9,15H,8H2,1-2H3
InChIKeyQVQZTVNFSNOFQS-UHFFFAOYSA-N
XLogP2.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-6-ylmethyl)propan-2-amine?
The IUPAC name of N-(quinoxalin-6-ylmethyl)propan-2-amine (CID 62848682) is N-(quinoxalin-6-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(quinoxalin-6-ylmethyl)propan-2-amine?
The canonical SMILES for N-(quinoxalin-6-ylmethyl)propan-2-amine is CC(C)NCc1ccc2nccnc2c1.
What is the InChIKey of N-(quinoxalin-6-ylmethyl)propan-2-amine?
The InChIKey is QVQZTVNFSNOFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(2)15-8-10-3-4-11-12(7-10)14-6-5-13-11/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-(quinoxalin-6-ylmethyl)propan-2-amine?
N-(quinoxalin-6-ylmethyl)propan-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 62848682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).