N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine

C12H19N3 — CID 137428267

IUPACN-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine
SMILESCCNC1=NCN(C)C2=CC=C(C)CC21
InChIInChI=1S/C12H19N3/c1-4-13-12-10-7-9(2)5-6-11(10)15(3)8-14-12/h5-6,10H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyYLFVFRRZZFETEG-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.75
Rot. Bonds1

About N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine

N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine (PubChem CID 137428267) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine
PubChem CID137428267
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine
SMILESCCNC1=NCN(C)C2=CC=C(C)CC21
InChIInChI=1S/C12H19N3/c1-4-13-12-10-7-9(2)5-6-11(10)15(3)8-14-12/h5-6,10H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyYLFVFRRZZFETEG-UHFFFAOYSA-N
XLogP1.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine?
The IUPAC name of N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine (CID 137428267) is N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine.
What is the SMILES notation for N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine?
The canonical SMILES for N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine is CCNC1=NCN(C)C2=CC=C(C)CC21.
What is the InChIKey of N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine?
The InChIKey is YLFVFRRZZFETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-13-12-10-7-9(2)5-6-11(10)15(3)8-14-12/h5-6,10H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine?
N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine is sourced from PubChem (CID 137428267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).