2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C14H23N3O — CID 106815188

IUPAC2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCOCCc1ncc2c(n1)CC(C)(C)CC2N
InChIInChI=1S/C14H23N3O/c1-4-18-6-5-13-16-9-10-11(15)7-14(2,3)8-12(10)17-13/h9,11H,4-8,15H2,1-3H3
InChIKeyXBDPDLZWNKZQMC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds4

About 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 106815188) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID106815188
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCOCCc1ncc2c(n1)CC(C)(C)CC2N
InChIInChI=1S/C14H23N3O/c1-4-18-6-5-13-16-9-10-11(15)7-14(2,3)8-12(10)17-13/h9,11H,4-8,15H2,1-3H3
InChIKeyXBDPDLZWNKZQMC-UHFFFAOYSA-N
XLogP2.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
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 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 106815188) is 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CCOCCc1ncc2c(n1)CC(C)(C)CC2N.
What is the InChIKey of 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is XBDPDLZWNKZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-18-6-5-13-16-9-10-11(15)7-14(2,3)8-12(10)17-13/h9,11H,4-8,15H2,1-3H3.
What are the key properties of 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 106815188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).