1-[2-(tert-butylamino)ethyl]azepan-2-one

C12H24N2O — CID 61387620

IUPAC1-[2-(tert-butylamino)ethyl]azepan-2-one
SMILESCC(C)(C)NCCN1CCCCCC1=O
InChIInChI=1S/C12H24N2O/c1-12(2,3)13-8-10-14-9-6-4-5-7-11(14)15/h13H,4-10H2,1-3H3
InChIKeyJNZFCIBSRCIVQW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]azepan-2-one

1-[2-(tert-butylamino)ethyl]azepan-2-one (PubChem CID 61387620) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]azepan-2-one
PubChem CID61387620
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(tert-butylamino)ethyl]azepan-2-one
SMILESCC(C)(C)NCCN1CCCCCC1=O
InChIInChI=1S/C12H24N2O/c1-12(2,3)13-8-10-14-9-6-4-5-7-11(14)15/h13H,4-10H2,1-3H3
InChIKeyJNZFCIBSRCIVQW-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
CID 169185862
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(3-chloropropyl)azepan-2-one
CID 14811847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]azepan-2-one?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]azepan-2-one (CID 61387620) is 1-[2-(tert-butylamino)ethyl]azepan-2-one.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]azepan-2-one?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]azepan-2-one is CC(C)(C)NCCN1CCCCCC1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]azepan-2-one?
The InChIKey is JNZFCIBSRCIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)13-8-10-14-9-6-4-5-7-11(14)15/h13H,4-10H2,1-3H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]azepan-2-one?
1-[2-(tert-butylamino)ethyl]azepan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]azepan-2-one is sourced from PubChem (CID 61387620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).