2-(2-methoxyethylamino)cyclohexan-1-one

C9H17NO2 — CID 146369823

IUPAC2-(2-methoxyethylamino)cyclohexan-1-one
SMILESCOCCNC1CCCCC1=O
InChIInChI=1S/C9H17NO2/c1-12-7-6-10-8-4-2-3-5-9(8)11/h8,10H,2-7H2,1H3
InChIKeyGJAMVMCEUGMHQD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.73
Rot. Bonds4

About 2-(2-methoxyethylamino)cyclohexan-1-one

2-(2-methoxyethylamino)cyclohexan-1-one (PubChem CID 146369823) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)cyclohexan-1-one
PubChem CID146369823
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2-methoxyethylamino)cyclohexan-1-one
SMILESCOCCNC1CCCCC1=O
InChIInChI=1S/C9H17NO2/c1-12-7-6-10-8-4-2-3-5-9(8)11/h8,10H,2-7H2,1H3
InChIKeyGJAMVMCEUGMHQD-UHFFFAOYSA-N
XLogP0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Butylamino)cyclohexan-1-one
CID 67932928
3-[N-acetyl-N-butyl]-aminopropionic acid ethyl ester
CID 87701077
ethyl 2-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]acetate
CID 135043176
2-[(4-Fluorooxolan-3-yl)amino]cyclohexan-1-one
CID 126856366
(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one
CID 59979123
2-(Pentylamino)cyclohexan-1-one
CID 67042571
2-(Propylamino)cyclohexan-1-one
CID 69718123
2-(Hexylamino)cyclohexan-1-one
CID 85725021
3-amino-N-(2-methoxyethyl)-2-oxohexanamide
CID 88254053
N-(2-methoxyethyl)-3-(methylamino)-2-oxohexanamide
CID 89563025
4-(3-Methoxypropylamino)cyclohexan-1-one
CID 117027816
1-(2-Propoxyethylamino)pentan-2-one
CID 123862001

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-methoxyethylamino)cyclohexan-1-one (CID 146369823) is 2-(2-methoxyethylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-methoxyethylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-methoxyethylamino)cyclohexan-1-one is COCCNC1CCCCC1=O.
What is the InChIKey of 2-(2-methoxyethylamino)cyclohexan-1-one?
The InChIKey is GJAMVMCEUGMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-7-6-10-8-4-2-3-5-9(8)11/h8,10H,2-7H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)cyclohexan-1-one?
2-(2-methoxyethylamino)cyclohexan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)cyclohexan-1-one is sourced from PubChem (CID 146369823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).