6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane

C15H28N2 — CID 163248837

IUPAC6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane
SMILESCC.CC1N=CC2=C(CCC(C(C)(C)C)C2)N1
InChIInChI=1S/C13H22N2.C2H6/c1-9-14-8-10-7-11(13(2,3)4)5-6-12(10)15-9;1-2/h8-9,11,15H,5-7H2,1-4H3;1-2H3
InChIKeyOHPKTDVOQNKXEQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.13
Rot. Bonds

About 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane

6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane (PubChem CID 163248837) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane
PubChem CID163248837
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane
SMILESCC.CC1N=CC2=C(CCC(C(C)(C)C)C2)N1
InChIInChI=1S/C13H22N2.C2H6/c1-9-14-8-10-7-11(13(2,3)4)5-6-12(10)15-9;1-2/h8-9,11,15H,5-7H2,1-4H3;1-2H3
InChIKeyOHPKTDVOQNKXEQ-UHFFFAOYSA-N
XLogP4.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane 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 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane?
The IUPAC name of 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane (CID 163248837) is 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane.
What is the SMILES notation for 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane?
The canonical SMILES for 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane is CC.CC1N=CC2=C(CCC(C(C)(C)C)C2)N1.
What is the InChIKey of 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane?
The InChIKey is OHPKTDVOQNKXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-9-14-8-10-7-11(13(2,3)4)5-6-12(10)15-9;1-2/h8-9,11,15H,5-7H2,1-4H3;1-2H3.
What are the key properties of 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane?
6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane has a molecular weight of 236.40 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane is sourced from PubChem (CID 163248837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).