1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine

C14H23N3 — CID 81425609

IUPAC1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2nc(C(C)(C)C)ncc2C1
InChIInChI=1S/C14H23N3/c1-14(2,3)13-16-9-11-7-10(8-15-4)5-6-12(11)17-13/h9-10,15H,5-8H2,1-4H3
InChIKeyXEWSRRDNWUFAKG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine

1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine (PubChem CID 81425609) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
PubChem CID81425609
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2nc(C(C)(C)C)ncc2C1
InChIInChI=1S/C14H23N3/c1-14(2,3)13-16-9-11-7-10(8-15-4)5-6-12(11)17-13/h9-10,15H,5-8H2,1-4H3
InChIKeyXEWSRRDNWUFAKG-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116731934
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103476669
N-methyl-1-[2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 106849856
N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425868
N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425043
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
CID 81425998
1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116731929
1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 107915653
1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116779494
1-[2-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81425046
2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine (CID 81425609) is 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine is CNCC1CCc2nc(C(C)(C)C)ncc2C1.
What is the InChIKey of 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine?
The InChIKey is XEWSRRDNWUFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)13-16-9-11-7-10(8-15-4)5-6-12(11)17-13/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine?
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 81425609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).