N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C18H29N3 — CID 81425903

IUPACN-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCNCC1CCc2nc(C3CCC(C)CC3)nc(C)c2C1
InChIInChI=1S/C18H29N3/c1-12-4-7-15(8-5-12)18-20-13(2)16-10-14(11-19-3)6-9-17(16)21-18/h12,14-15,19H,4-11H2,1-3H3
InChIKeyWUWFDTITUFCWFH-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.40
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81425903) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81425903
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCNCC1CCc2nc(C3CCC(C)CC3)nc(C)c2C1
InChIInChI=1S/C18H29N3/c1-12-4-7-15(8-5-12)18-20-13(2)16-10-14(11-19-3)6-9-17(16)21-18/h12,14-15,19H,4-11H2,1-3H3
InChIKeyWUWFDTITUFCWFH-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81425903) is N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is CNCC1CCc2nc(C3CCC(C)CC3)nc(C)c2C1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is WUWFDTITUFCWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-12-4-7-15(8-5-12)18-20-13(2)16-10-14(11-19-3)6-9-17(16)21-18/h12,14-15,19H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81425903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).