N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine

C17H25N3 — CID 63198585

IUPACN-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine
SMILESCCNC(C)C(c1nc2ccccc2nc1C)C(C)C
InChIInChI=1S/C17H25N3/c1-6-18-12(4)16(11(2)3)17-13(5)19-14-9-7-8-10-15(14)20-17/h7-12,16,18H,6H2,1-5H3
InChIKeyYMMSFJWRERHCLQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.68
Rot. Bonds5

About N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine

N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine (PubChem CID 63198585) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine
PubChem CID63198585
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine
SMILESCCNC(C)C(c1nc2ccccc2nc1C)C(C)C
InChIInChI=1S/C17H25N3/c1-6-18-12(4)16(11(2)3)17-13(5)19-14-9-7-8-10-15(14)20-17/h7-12,16,18H,6H2,1-5H3
InChIKeyYMMSFJWRERHCLQ-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine (CID 63198585) is N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine is CCNC(C)C(c1nc2ccccc2nc1C)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine?
The InChIKey is YMMSFJWRERHCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-18-12(4)16(11(2)3)17-13(5)19-14-9-7-8-10-15(14)20-17/h7-12,16,18H,6H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine?
N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(3-methylquinoxalin-2-yl)pentan-2-amine is sourced from PubChem (CID 63198585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).