N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine

C11H15N3 — CID 176538483

IUPACN-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine
SMILESCC/N=C1\NC=NC2=CC=C(C)CC21
InChIInChI=1S/C11H15N3/c1-3-12-11-9-6-8(2)4-5-10(9)13-7-14-11/h4-5,7,9H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyRFLOCKJFBTZOMX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.89
Rot. Bonds1

About N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine

N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine (PubChem CID 176538483) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine
PubChem CID176538483
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine
SMILESCC/N=C1\NC=NC2=CC=C(C)CC21
InChIInChI=1S/C11H15N3/c1-3-12-11-9-6-8(2)4-5-10(9)13-7-14-11/h4-5,7,9H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyRFLOCKJFBTZOMX-UHFFFAOYSA-N
XLogP1.89
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(methyliminomethyl)-1,2,4a,5-tetrahydroquinazolin-4-amine
CID 137315152
N-ethyl-1,6-dimethyl-4a,5-dihydro-2H-quinazolin-4-amine
CID 137428267
N-ethyl-6-methyl-1,2,4a,5-tetrahydroquinazolin-4-amine
CID 137428287
N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 137428301
8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CID 143224706
5-Methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 156226497
(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 163530954
2-Methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
CID 166805466
4-Propan-2-yl-6,7-dihydropyrido[3,4-d]pyrimidine
CID 169975373
4-[(3E)-penta-1,3-dien-3-yl]-4,4a-dihydro-1H-pyrrolo[2,3-d]pyrimidine
CID 176522358
4-ethylimino-4a,5-dihydro-3H-quinazoline-6-carbonitrile
CID 176538484
7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine
CID 176540475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine?
The IUPAC name of N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine (CID 176538483) is N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine.
What is the SMILES notation for N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine?
The canonical SMILES for N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine is CC/N=C1\NC=NC2=CC=C(C)CC21.
What is the InChIKey of N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine?
The InChIKey is RFLOCKJFBTZOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-12-11-9-6-8(2)4-5-10(9)13-7-14-11/h4-5,7,9H,3,6H2,1-2H3,(H,12,13,14).
What are the key properties of N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine?
N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine has a molecular weight of 189.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4a,5-dihydro-3H-quinazolin-4-imine is sourced from PubChem (CID 176538483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).