N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C17H24N4 — CID 62591635

IUPACN-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCc1nc2ccccc2nc1N1CCCC1CNC(C)C
InChIInChI=1S/C17H24N4/c1-12(2)18-11-14-7-6-10-21(14)17-13(3)19-15-8-4-5-9-16(15)20-17/h4-5,8-9,12,14,18H,6-7,10-11H2,1-3H3
InChIKeyVJEJAVFEODMVBJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.91
Rot. Bonds4

About N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62591635) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62591635
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCc1nc2ccccc2nc1N1CCCC1CNC(C)C
InChIInChI=1S/C17H24N4/c1-12(2)18-11-14-7-6-10-21(14)17-13(3)19-15-8-4-5-9-16(15)20-17/h4-5,8-9,12,14,18H,6-7,10-11H2,1-3H3
InChIKeyVJEJAVFEODMVBJ-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62591635) is N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine is Cc1nc2ccccc2nc1N1CCCC1CNC(C)C.
What is the InChIKey of N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is VJEJAVFEODMVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)18-11-14-7-6-10-21(14)17-13(3)19-15-8-4-5-9-16(15)20-17/h4-5,8-9,12,14,18H,6-7,10-11H2,1-3H3.
What are the key properties of N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62591635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).