1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

C15H25N3O — CID 116731929

IUPAC1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCCCC(OC)c1ncc2c(n1)CCC(CNC)C2
InChIInChI=1S/C15H25N3O/c1-4-5-14(19-3)15-17-10-12-8-11(9-16-2)6-7-13(12)18-15/h10-11,14,16H,4-9H2,1-3H3
InChIKeyRZTARNBRDRNNCZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.29
Rot. Bonds6

About 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (PubChem CID 116731929) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
PubChem CID116731929
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCCCC(OC)c1ncc2c(n1)CCC(CNC)C2
InChIInChI=1S/C15H25N3O/c1-4-5-14(19-3)15-17-10-12-8-11(9-16-2)6-7-13(12)18-15/h10-11,14,16H,4-9H2,1-3H3
InChIKeyRZTARNBRDRNNCZ-UHFFFAOYSA-N
XLogP2.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (CID 116731929) is 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is CCCC(OC)c1ncc2c(n1)CCC(CNC)C2.
What is the InChIKey of 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The InChIKey is RZTARNBRDRNNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-14(19-3)15-17-10-12-8-11(9-16-2)6-7-13(12)18-15/h10-11,14,16H,4-9H2,1-3H3.
What are the key properties of 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 116731929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).