4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine

C17H26N4 — CID 80838890

IUPAC4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine
SMILESCCCCCC(C)(C)CNc1nc(N)nc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-5-8-11-17(2,3)12-19-15-13-9-6-7-10-14(13)20-16(18)21-15/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H3,18,19,20,21)
InChIKeyTULLDUSKTQVKJS-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.23
Rot. Bonds7

About 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine

4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine (PubChem CID 80838890) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine
PubChem CID80838890
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine
SMILESCCCCCC(C)(C)CNc1nc(N)nc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-5-8-11-17(2,3)12-19-15-13-9-6-7-10-14(13)20-16(18)21-15/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H3,18,19,20,21)
InChIKeyTULLDUSKTQVKJS-UHFFFAOYSA-N
XLogP4.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine (CID 80838890) is 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine is CCCCCC(C)(C)CNc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine?
The InChIKey is TULLDUSKTQVKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-5-8-11-17(2,3)12-19-15-13-9-6-7-10-14(13)20-16(18)21-15/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine?
4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylheptyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80838890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).