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

C11H23N3O — CID 107446484

IUPAC4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
SMILESCC(C)(C)NCCN1CCCNC(=O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-6-8-14-7-4-5-12-10(15)9-14/h13H,4-9H2,1-3H3,(H,12,15)
InChIKeyNEGRJPLMTCNFQP-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.20
Rot. Bonds3

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

4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one (PubChem CID 107446484) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
PubChem CID107446484
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
SMILESCC(C)(C)NCCN1CCCNC(=O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-6-8-14-7-4-5-12-10(15)9-14/h13H,4-9H2,1-3H3,(H,12,15)
InChIKeyNEGRJPLMTCNFQP-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one (CID 107446484) is 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one is CC(C)(C)NCCN1CCCNC(=O)C1.
What is the InChIKey of 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one?
The InChIKey is NEGRJPLMTCNFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)13-6-8-14-7-4-5-12-10(15)9-14/h13H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one?
4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-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 4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one is sourced from PubChem (CID 107446484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).