2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

C16H27N3O2 — CID 102928806

IUPAC2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(CCOCCOC)ncc21
InChIInChI=1S/C16H27N3O2/c1-16(2)9-13(17-3)12-11-18-15(19-14(12)10-16)5-6-21-8-7-20-4/h11,13,17H,5-10H2,1-4H3
InChIKeyVUPYDICTMUDJQH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.91
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 102928806) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID102928806
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(CCOCCOC)ncc21
InChIInChI=1S/C16H27N3O2/c1-16(2)9-13(17-3)12-11-18-15(19-14(12)10-16)5-6-21-8-7-20-4/h11,13,17H,5-10H2,1-4H3
InChIKeyVUPYDICTMUDJQH-UHFFFAOYSA-N
XLogP1.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 102928806) is 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(CCOCCOC)ncc21.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is VUPYDICTMUDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2)9-13(17-3)12-11-18-15(19-14(12)10-16)5-6-21-8-7-20-4/h11,13,17H,5-10H2,1-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 293.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 102928806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).