2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C17H27N3O — CID 81425928

IUPAC2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCOCCNCC1CCc2nc(C3(C)CC3)nc(C)c2C1
InChIInChI=1S/C17H27N3O/c1-12-14-10-13(11-18-8-9-21-3)4-5-15(14)20-16(19-12)17(2)6-7-17/h13,18H,4-11H2,1-3H3
InChIKeyFWNPOCSGSLVNDK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.18
Rot. Bonds6

About 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425928) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425928
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCOCCNCC1CCc2nc(C3(C)CC3)nc(C)c2C1
InChIInChI=1S/C17H27N3O/c1-12-14-10-13(11-18-8-9-21-3)4-5-15(14)20-16(19-12)17(2)6-7-17/h13,18H,4-11H2,1-3H3
InChIKeyFWNPOCSGSLVNDK-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425928) is 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is COCCNCC1CCc2nc(C3(C)CC3)nc(C)c2C1.
What is the InChIKey of 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is FWNPOCSGSLVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-14-10-13(11-18-8-9-21-3)4-5-15(14)20-16(19-12)17(2)6-7-17/h13,18H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).