N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide

C11H23N3O — CID 7130918

IUPACN-tert-butyl-2-(1,4-diazepan-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCNCC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-10(15)9-14-7-4-5-12-6-8-14/h12H,4-9H2,1-3H3,(H,13,15)
InChIKeyGTBSIJYCDGZHHF-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.20
Rot. Bonds2

About N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide

N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 7130918) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,4-diazepan-1-yl)acetamide
PubChem CID7130918
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-tert-butyl-2-(1,4-diazepan-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCNCC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)13-10(15)9-14-7-4-5-12-6-8-14/h12H,4-9H2,1-3H3,(H,13,15)
InChIKeyGTBSIJYCDGZHHF-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide (CID 7130918) is N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide is CC(C)(C)NC(=O)CN1CCCNCC1.
What is the InChIKey of N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is GTBSIJYCDGZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)13-10(15)9-14-7-4-5-12-6-8-14/h12H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide?
N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 213.32 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 7130918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).