4-N-(2-ethylhexyl)quinazoline-4,7-diamine

C16H24N4 — CID 107819800

IUPAC4-N-(2-ethylhexyl)quinazoline-4,7-diamine
SMILESCCCCC(CC)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C16H24N4/c1-3-5-6-12(4-2)10-18-16-14-8-7-13(17)9-15(14)19-11-20-16/h7-9,11-12H,3-6,10,17H2,1-2H3,(H,18,19,20)
InChIKeyJRCZMFUCSCENCX-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.84
Rot. Bonds7

About 4-N-(2-ethylhexyl)quinazoline-4,7-diamine

4-N-(2-ethylhexyl)quinazoline-4,7-diamine (PubChem CID 107819800) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N-(2-ethylhexyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-ethylhexyl)quinazoline-4,7-diamine
PubChem CID107819800
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N-(2-ethylhexyl)quinazoline-4,7-diamine
SMILESCCCCC(CC)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C16H24N4/c1-3-5-6-12(4-2)10-18-16-14-8-7-13(17)9-15(14)19-11-20-16/h7-9,11-12H,3-6,10,17H2,1-2H3,(H,18,19,20)
InChIKeyJRCZMFUCSCENCX-UHFFFAOYSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251267
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylhexyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-ethylhexyl)quinazoline-4,7-diamine (CID 107819800) is 4-N-(2-ethylhexyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-ethylhexyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-ethylhexyl)quinazoline-4,7-diamine is CCCCC(CC)CNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-ethylhexyl)quinazoline-4,7-diamine?
The InChIKey is JRCZMFUCSCENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-5-6-12(4-2)10-18-16-14-8-7-13(17)9-15(14)19-11-20-16/h7-9,11-12H,3-6,10,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(2-ethylhexyl)quinazoline-4,7-diamine?
4-N-(2-ethylhexyl)quinazoline-4,7-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylhexyl)quinazoline-4,7-diamine is sourced from PubChem (CID 107819800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).