1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone

C12H23NO2 — CID 112691040

IUPAC1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCCCC1C
InChIInChI=1S/C12H23NO2/c1-10(2)15-9-12(14)13-8-6-4-5-7-11(13)3/h10-11H,4-9H2,1-3H3
InChIKeyNUNNUGAFUNKBLD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds3

About 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone

1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone (PubChem CID 112691040) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
PubChem CID112691040
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCCCC1C
InChIInChI=1S/C12H23NO2/c1-10(2)15-9-12(14)13-8-6-4-5-7-11(13)3/h10-11H,4-9H2,1-3H3
InChIKeyNUNNUGAFUNKBLD-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
1-[2-(chloromethyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 116639008
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 112603248
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603247
2-propan-2-yloxy-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 95234107
2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone (CID 112691040) is 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCCCC1C.
What is the InChIKey of 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is NUNNUGAFUNKBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)15-9-12(14)13-8-6-4-5-7-11(13)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone?
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 213.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112691040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).