1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline

C10H18N2 — CID 21341297

IUPAC1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline
SMILESCC1=NCC2CCCCC2N1C
InChIInChI=1S/C10H18N2/c1-8-11-7-9-5-3-4-6-10(9)12(8)2/h9-10H,3-7H2,1-2H3
InChIKeyWHJXZTKASAVIDS-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.91
Rot. Bonds

About 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline

1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline (PubChem CID 21341297) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline.

Molecular Properties

Compound Name1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline
PubChem CID21341297
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline
SMILESCC1=NCC2CCCCC2N1C
InChIInChI=1S/C10H18N2/c1-8-11-7-9-5-3-4-6-10(9)12(8)2/h9-10H,3-7H2,1-2H3
InChIKeyWHJXZTKASAVIDS-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline?
The IUPAC name of 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline (CID 21341297) is 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline.
What is the SMILES notation for 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline?
The canonical SMILES for 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline is CC1=NCC2CCCCC2N1C.
What is the InChIKey of 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline?
The InChIKey is WHJXZTKASAVIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-11-7-9-5-3-4-6-10(9)12(8)2/h9-10H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline?
1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline has a molecular weight of 166.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-quinazoline is sourced from PubChem (CID 21341297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).