3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine

C11H15N3 — CID 134239724

IUPAC3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine
SMILESC=CCN1C=NC2CC(N)=CC=C2C1
InChIInChI=1S/C11H15N3/c1-2-5-14-7-9-3-4-10(12)6-11(9)13-8-14/h2-4,8,11H,1,5-7,12H2
InChIKeyOIWIJVGDDXOXPI-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.06
Rot. Bonds2

About 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine

3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine (PubChem CID 134239724) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine.

Molecular Properties

Compound Name3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine
PubChem CID134239724
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine
SMILESC=CCN1C=NC2CC(N)=CC=C2C1
InChIInChI=1S/C11H15N3/c1-2-5-14-7-9-3-4-10(12)6-11(9)13-8-14/h2-4,8,11H,1,5-7,12H2
InChIKeyOIWIJVGDDXOXPI-UHFFFAOYSA-N
XLogP1.06
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine?
The IUPAC name of 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine (CID 134239724) is 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine.
What is the SMILES notation for 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine?
The canonical SMILES for 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine is C=CCN1C=NC2CC(N)=CC=C2C1.
What is the InChIKey of 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine?
The InChIKey is OIWIJVGDDXOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-5-14-7-9-3-4-10(12)6-11(9)13-8-14/h2-4,8,11H,1,5-7,12H2.
What are the key properties of 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine?
3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine has a molecular weight of 189.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine is sourced from PubChem (CID 134239724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).