1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one

C11H23N3O — CID 107446478

IUPAC1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one
SMILESCC(C)(C)NCCN1CCNC(=O)CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-6-9-14-7-4-10(15)12-5-8-14/h13H,4-9H2,1-3H3,(H,12,15)
InChIKeyNZDRAKGFCMZKAW-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.20
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one

1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one (PubChem CID 107446478) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one
PubChem CID107446478
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one
SMILESCC(C)(C)NCCN1CCNC(=O)CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-6-9-14-7-4-10(15)12-5-8-14/h13H,4-9H2,1-3H3,(H,12,15)
InChIKeyNZDRAKGFCMZKAW-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
CID 107446484
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
1-propyl-1,4-diazocan-5-one
CID 117015407
1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one
CID 105061114
4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one
CID 107446479
N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 136579508
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 63004132
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
1-[2-(2,5-dimethylphenyl)sulfonylethyl]-1,4-diazepan-5-one
CID 71900372
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,4-diazepan-5-one
CID 80606832
trifluoro-[(5-oxo-1,4-diazepan-1-yl)methyl]boranuide
CID 63702802

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one (CID 107446478) is 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one is CC(C)(C)NCCN1CCNC(=O)CC1.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one?
The InChIKey is NZDRAKGFCMZKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)13-6-9-14-7-4-10(15)12-5-8-14/h13H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one?
1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one has a molecular weight of 213.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one is sourced from PubChem (CID 107446478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).