N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C14H23N3O — CID 116728333

IUPACN-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(C(CC)OC)ncc21
InChIInChI=1S/C14H23N3O/c1-4-13(18-3)14-16-9-10-11(15-5-2)7-6-8-12(10)17-14/h9,11,13,15H,4-8H2,1-3H3
InChIKeyQWJZFXMVKQXHOT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 116728333) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID116728333
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(C(CC)OC)ncc21
InChIInChI=1S/C14H23N3O/c1-4-13(18-3)14-16-9-10-11(15-5-2)7-6-8-12(10)17-14/h9,11,13,15H,4-8H2,1-3H3
InChIKeyQWJZFXMVKQXHOT-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Related Compounds

N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
2-[cyclopropyl(methoxy)methyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385373
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728336
2-(1-ethoxyethyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385252
N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007510
2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728342
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728320
N-ethyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65422387
N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
2-(1-methoxy-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 116728333) is N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(C(CC)OC)ncc21.
What is the InChIKey of N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is QWJZFXMVKQXHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-13(18-3)14-16-9-10-11(15-5-2)7-6-8-12(10)17-14/h9,11,13,15H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 116728333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).