2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide

C14H28N2O3 — CID 65051160

IUPAC2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OC1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O3/c1-11-4-6-14(10-15,7-5-11)19-12(2)13(17)16-8-9-18-3/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyRAPMGAFOAHBNEA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds7

About 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide

2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide (PubChem CID 65051160) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
PubChem CID65051160
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OC1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O3/c1-11-4-6-14(10-15,7-5-11)19-12(2)13(17)16-8-9-18-3/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyRAPMGAFOAHBNEA-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65052742
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65050735
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
CID 65052713
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate
CID 83036005
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
1-[(2-amino-3-methoxypropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 81088836
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide
CID 63106262

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide (CID 65051160) is 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)OC1(CN)CCC(C)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
The InChIKey is RAPMGAFOAHBNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-4-6-14(10-15,7-5-11)19-12(2)13(17)16-8-9-18-3/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 65051160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).