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

C14H23N3O — CID 81425868

IUPACN-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCCCOCc1ncc2c(n1)CCC(CNC)C2
InChIInChI=1S/C14H23N3O/c1-3-6-18-10-14-16-9-12-7-11(8-15-2)4-5-13(12)17-14/h9,11,15H,3-8,10H2,1-2H3
InChIKeyRLLFWBLMRUETIE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds6

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

N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81425868) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81425868
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCCCOCc1ncc2c(n1)CCC(CNC)C2
InChIInChI=1S/C14H23N3O/c1-3-6-18-10-14-16-9-12-7-11(8-15-2)4-5-13(12)17-14/h9,11,15H,3-8,10H2,1-2H3
InChIKeyRLLFWBLMRUETIE-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
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 N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81425868) is N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is CCCOCc1ncc2c(n1)CCC(CNC)C2.
What is the InChIKey of N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is RLLFWBLMRUETIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-18-10-14-16-9-12-7-11(8-15-2)4-5-13(12)17-14/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81425868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).