N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine

C12H19N3 — CID 54589514

IUPACN,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine
SMILESCC/N=c1/c2c(ncn1CC)CCCC2
InChIInChI=1S/C12H19N3/c1-3-13-12-10-7-5-6-8-11(10)14-9-15(12)4-2/h9H,3-8H2,1-2H3/b13-12-
InChIKeyXWLVBHHNFHQVBH-SEYXRHQNSA-N
MW205.30 g/mol
LogP1.70
Rot. Bonds2

About N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine

N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine (PubChem CID 54589514) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine.

Molecular Properties

Compound NameN,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine
PubChem CID54589514
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine
SMILESCC/N=c1/c2c(ncn1CC)CCCC2
InChIInChI=1S/C12H19N3/c1-3-13-12-10-7-5-6-8-11(10)14-9-15(12)4-2/h9H,3-8H2,1-2H3/b13-12-
InChIKeyXWLVBHHNFHQVBH-SEYXRHQNSA-N
XLogP1.70
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,5,6,7,8,9-Octahydropyrrolo[2,1-b]quinazoline
CID 24870779
1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 21341298
3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
CID 67796859
3-methyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 68330570
(5Z)-2-(cyclohexen-1-yl)-1-methyl-9-methylidene-7,8-dihydro-4H-1,3-diazonine
CID 89192457
(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
CID 126756946
1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
CID 126757105
8,13-Dimethyl-8-aza-1-azoniatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene
CID 23344254
N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine
CID 54589513
N,3-dipropyl-5,6,7,8-tetrahydroquinazolin-4-imine
CID 54589594
N-ethyl-N'-methyl-2-(methylideneamino)cyclohexene-1-carboximidamide
CID 172292811

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
The IUPAC name of N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine (CID 54589514) is N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine.
What is the SMILES notation for N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
The canonical SMILES for N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine is CC/N=c1/c2c(ncn1CC)CCCC2.
What is the InChIKey of N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
The InChIKey is XWLVBHHNFHQVBH-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-13-12-10-7-5-6-8-11(10)14-9-15(12)4-2/h9H,3-8H2,1-2H3/b13-12-.
What are the key properties of N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine has a molecular weight of 205.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine is sourced from PubChem (CID 54589514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).