2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline

C14H24N2 — CID 118488829

IUPAC2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline
SMILESCC1=CC2C(C)NC(C)NC2C(C(C)C)=C1
InChIInChI=1S/C14H24N2/c1-8(2)12-6-9(3)7-13-10(4)15-11(5)16-14(12)13/h6-8,10-11,13-16H,1-5H3
InChIKeyPVGAFKDALLXTSJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.44
Rot. Bonds1

About 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline

2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline (PubChem CID 118488829) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline.

Molecular Properties

Compound Name2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline
PubChem CID118488829
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline
SMILESCC1=CC2C(C)NC(C)NC2C(C(C)C)=C1
InChIInChI=1S/C14H24N2/c1-8(2)12-6-9(3)7-13-10(4)15-11(5)16-14(12)13/h6-8,10-11,13-16H,1-5H3
InChIKeyPVGAFKDALLXTSJ-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline?
The IUPAC name of 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline (CID 118488829) is 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline.
What is the SMILES notation for 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline?
The canonical SMILES for 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline is CC1=CC2C(C)NC(C)NC2C(C(C)C)=C1.
What is the InChIKey of 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline?
The InChIKey is PVGAFKDALLXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-8(2)12-6-9(3)7-13-10(4)15-11(5)16-14(12)13/h6-8,10-11,13-16H,1-5H3.
What are the key properties of 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline?
2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline has a molecular weight of 220.36 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-8-propan-2-yl-1,2,3,4,4a,8a-hexahydroquinazoline is sourced from PubChem (CID 118488829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).