4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one

C11H23N3O — CID 65361617

IUPAC4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one
SMILESCC(C)(C)C(CN)N1CCCNC(=O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)9(7-12)14-6-4-5-13-10(15)8-14/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyJHOWWEPBXOPWAZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds2

About 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one

4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one (PubChem CID 65361617) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one
PubChem CID65361617
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one
SMILESCC(C)(C)C(CN)N1CCCNC(=O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)9(7-12)14-6-4-5-13-10(15)8-14/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyJHOWWEPBXOPWAZ-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one
CID 64682377
3-methyl-2-(3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 65366616
4-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-1,4-diazepan-2-one
CID 65361566
4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 65366409
2-(3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 83040888
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784
7-(1-amino-3,3-dimethylbutan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091862
4-[2-amino-1-(5-bromothiophen-2-yl)propyl]-1,4-diazepan-2-one
CID 65360987
4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 82688047
4-[2-amino-1-(4-chlorophenyl)butyl]-1,4-diazepan-2-one
CID 65361217
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine
CID 61324957
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 65366224

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one (CID 65361617) is 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one is CC(C)(C)C(CN)N1CCCNC(=O)C1.
What is the InChIKey of 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one?
The InChIKey is JHOWWEPBXOPWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)9(7-12)14-6-4-5-13-10(15)8-14/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one?
4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 65361617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).