2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C15H26N4O — CID 50982143

IUPAC2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCN(C)CC(C)(C)c1nc2c([nH]1)CC(C)(C)CNC2=O
InChIInChI=1S/C15H26N4O/c1-14(2)7-10-11(12(20)16-8-14)18-13(17-10)15(3,4)9-19(5)6/h7-9H2,1-6H3,(H,16,20)(H,17,18)
InChIKeyVSZDZDUTRJLBON-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.56
Rot. Bonds3

About 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 50982143) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID50982143
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCN(C)CC(C)(C)c1nc2c([nH]1)CC(C)(C)CNC2=O
InChIInChI=1S/C15H26N4O/c1-14(2)7-10-11(12(20)16-8-14)18-13(17-10)15(3,4)9-19(5)6/h7-9H2,1-6H3,(H,16,20)(H,17,18)
InChIKeyVSZDZDUTRJLBON-UHFFFAOYSA-N
XLogP1.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 50982143) is 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CN(C)CC(C)(C)c1nc2c([nH]1)CC(C)(C)CNC2=O.
What is the InChIKey of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is VSZDZDUTRJLBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14(2)7-10-11(12(20)16-8-14)18-13(17-10)15(3,4)9-19(5)6/h7-9H2,1-6H3,(H,16,20)(H,17,18).
What are the key properties of 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 278.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 50982143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).