1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine

C14H18N4 — CID 63759107

IUPAC1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NCC(N)C1CC1
InChIInChI=1S/C14H18N4/c1-9-14(16-8-11(15)10-6-7-10)18-13-5-3-2-4-12(13)17-9/h2-5,10-11H,6-8,15H2,1H3,(H,16,18)
InChIKeyHRFOQVOQSSJRAI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.09
Rot. Bonds4

About 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine

1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine (PubChem CID 63759107) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
PubChem CID63759107
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NCC(N)C1CC1
InChIInChI=1S/C14H18N4/c1-9-14(16-8-11(15)10-6-7-10)18-13-5-3-2-4-12(13)17-9/h2-5,10-11H,6-8,15H2,1H3,(H,16,18)
InChIKeyHRFOQVOQSSJRAI-UHFFFAOYSA-N
XLogP2.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine (CID 63759107) is 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine is Cc1nc2ccccc2nc1NCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The InChIKey is HRFOQVOQSSJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-14(16-8-11(15)10-6-7-10)18-13-5-3-2-4-12(13)17-9/h2-5,10-11H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63759107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).