4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine

C15H22N4 — CID 83142240

IUPAC4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
SMILESCC(CNc1ncnc2cc(N)ccc12)C(C)(C)C
InChIInChI=1S/C15H22N4/c1-10(15(2,3)4)8-17-14-12-6-5-11(16)7-13(12)18-9-19-14/h5-7,9-10H,8,16H2,1-4H3,(H,17,18,19)
InChIKeyDWSFWMCQAONCRJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds3

About 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine

4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine (PubChem CID 83142240) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
PubChem CID83142240
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
SMILESCC(CNc1ncnc2cc(N)ccc12)C(C)(C)C
InChIInChI=1S/C15H22N4/c1-10(15(2,3)4)8-17-14-12-6-5-11(16)7-13(12)18-9-19-14/h5-7,9-10H,8,16H2,1-4H3,(H,17,18,19)
InChIKeyDWSFWMCQAONCRJ-UHFFFAOYSA-N
XLogP3.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine (CID 83142240) is 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine is CC(CNc1ncnc2cc(N)ccc12)C(C)(C)C.
What is the InChIKey of 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine?
The InChIKey is DWSFWMCQAONCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(15(2,3)4)8-17-14-12-6-5-11(16)7-13(12)18-9-19-14/h5-7,9-10H,8,16H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine?
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine is sourced from PubChem (CID 83142240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).