N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

C13H22N4O — CID 155917461

IUPACN-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cn2c(n1)CCNCC2
InChIInChI=1S/C13H22N4O/c1-13(2,3)9-15-12(18)10-8-17-7-6-14-5-4-11(17)16-10/h8,14H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyYJNYXVHJBXLDMH-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds2

About N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155917461) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155917461
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cn2c(n1)CCNCC2
InChIInChI=1S/C13H22N4O/c1-13(2,3)9-15-12(18)10-8-17-7-6-14-5-4-11(17)16-10/h8,14H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyYJNYXVHJBXLDMH-UHFFFAOYSA-N
XLogP0.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155917461) is N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is CC(C)(C)CNC(=O)c1cn2c(n1)CCNCC2.
What is the InChIKey of N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is YJNYXVHJBXLDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)9-15-12(18)10-8-17-7-6-14-5-4-11(17)16-10/h8,14H,4-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155917461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).