N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C14H23N3O — CID 81425395

IUPACN-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)OC)ncc2C1
InChIInChI=1S/C14H23N3O/c1-4-15-8-11-5-6-13-12(7-11)9-16-14(17-13)10(2)18-3/h9-11,15H,4-8H2,1-3H3
InChIKeyXTJMQAOFKMIYEK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.90
Rot. Bonds5

About N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425395) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425395
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)OC)ncc2C1
InChIInChI=1S/C14H23N3O/c1-4-15-8-11-5-6-13-12(7-11)9-16-14(17-13)10(2)18-3/h9-11,15H,4-8H2,1-3H3
InChIKeyXTJMQAOFKMIYEK-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425395) is N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(C(C)OC)ncc2C1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is XTJMQAOFKMIYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-15-8-11-5-6-13-12(7-11)9-16-14(17-13)10(2)18-3/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).