N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine

C17H29N3 — CID 63779164

IUPACN-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCN1CCN(C)c2ccccc21
InChIInChI=1S/C17H29N3/c1-3-4-5-8-11-18-12-13-20-15-14-19(2)16-9-6-7-10-17(16)20/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3
InChIKeyGNUMRTNWDPKKQJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine

N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine (PubChem CID 63779164) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine
PubChem CID63779164
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCN1CCN(C)c2ccccc21
InChIInChI=1S/C17H29N3/c1-3-4-5-8-11-18-12-13-20-15-14-19(2)16-9-6-7-10-17(16)20/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3
InChIKeyGNUMRTNWDPKKQJ-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine (CID 63779164) is N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine is CCCCCCNCCN1CCN(C)c2ccccc21.
What is the InChIKey of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine?
The InChIKey is GNUMRTNWDPKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-4-5-8-11-18-12-13-20-15-14-19(2)16-9-6-7-10-17(16)20/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3.
What are the key properties of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine?
N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 63779164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).