N-(4-propylcyclohexyl)quinoxalin-2-amine

C17H23N3 — CID 63541975

IUPACN-(4-propylcyclohexyl)quinoxalin-2-amine
SMILESCCCC1CCC(Nc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H23N3/c1-2-5-13-8-10-14(11-9-13)19-17-12-18-15-6-3-4-7-16(15)20-17/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,19,20)
InChIKeyQKLKHXOSMXQMFL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.40
Rot. Bonds4

About N-(4-propylcyclohexyl)quinoxalin-2-amine

N-(4-propylcyclohexyl)quinoxalin-2-amine (PubChem CID 63541975) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)quinoxalin-2-amine
PubChem CID63541975
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(4-propylcyclohexyl)quinoxalin-2-amine
SMILESCCCC1CCC(Nc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H23N3/c1-2-5-13-8-10-14(11-9-13)19-17-12-18-15-6-3-4-7-16(15)20-17/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,19,20)
InChIKeyQKLKHXOSMXQMFL-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)quinoxalin-2-amine?
The IUPAC name of N-(4-propylcyclohexyl)quinoxalin-2-amine (CID 63541975) is N-(4-propylcyclohexyl)quinoxalin-2-amine.
What is the SMILES notation for N-(4-propylcyclohexyl)quinoxalin-2-amine?
The canonical SMILES for N-(4-propylcyclohexyl)quinoxalin-2-amine is CCCC1CCC(Nc2cnc3ccccc3n2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)quinoxalin-2-amine?
The InChIKey is QKLKHXOSMXQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-5-13-8-10-14(11-9-13)19-17-12-18-15-6-3-4-7-16(15)20-17/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,19,20).
What are the key properties of N-(4-propylcyclohexyl)quinoxalin-2-amine?
N-(4-propylcyclohexyl)quinoxalin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)quinoxalin-2-amine is sourced from PubChem (CID 63541975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).