1-(2-ethylazepan-1-yl)ethanone

C10H19NO — CID 115642380

IUPAC1-(2-ethylazepan-1-yl)ethanone
SMILESCCC1CCCCCN1C(C)=O
InChIInChI=1S/C10H19NO/c1-3-10-7-5-4-6-8-11(10)9(2)12/h10H,3-8H2,1-2H3
InChIKeyINCGRWNXAXUTCI-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds1

About 1-(2-ethylazepan-1-yl)ethanone

1-(2-ethylazepan-1-yl)ethanone (PubChem CID 115642380) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)ethanone
PubChem CID115642380
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-ethylazepan-1-yl)ethanone
SMILESCCC1CCCCCN1C(C)=O
InChIInChI=1S/C10H19NO/c1-3-10-7-5-4-6-8-11(10)9(2)12/h10H,3-8H2,1-2H3
InChIKeyINCGRWNXAXUTCI-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-ethylazepane-1-carbohydrazide
CID 104691127
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
2-bromo-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 114329119
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)ethanone?
The IUPAC name of 1-(2-ethylazepan-1-yl)ethanone (CID 115642380) is 1-(2-ethylazepan-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylazepan-1-yl)ethanone is CCC1CCCCCN1C(C)=O.
What is the InChIKey of 1-(2-ethylazepan-1-yl)ethanone?
The InChIKey is INCGRWNXAXUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10-7-5-4-6-8-11(10)9(2)12/h10H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethylazepan-1-yl)ethanone?
1-(2-ethylazepan-1-yl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)ethanone is sourced from PubChem (CID 115642380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).