2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide

C13H26N2O2 — CID 65052713

IUPAC2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
SMILESCC(OC1(CN)CCC(C(C)C)CC1)C(N)=O
InChIInChI=1S/C13H26N2O2/c1-9(2)11-4-6-13(8-14,7-5-11)17-10(3)12(15)16/h9-11H,4-8,14H2,1-3H3,(H2,15,16)
InChIKeyZOIRUZQKYBIUFR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide

2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide (PubChem CID 65052713) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
PubChem CID65052713
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
SMILESCC(OC1(CN)CCC(C(C)C)CC1)C(N)=O
InChIInChI=1S/C13H26N2O2/c1-9(2)11-4-6-13(8-14,7-5-11)17-10(3)12(15)16/h9-11H,4-8,14H2,1-3H3,(H2,15,16)
InChIKeyZOIRUZQKYBIUFR-UHFFFAOYSA-N
XLogP1.42
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
CID 65052232
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052853
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 64731650
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65052797
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65052742
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide?
The IUPAC name of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide (CID 65052713) is 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide is CC(OC1(CN)CCC(C(C)C)CC1)C(N)=O.
What is the InChIKey of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide?
The InChIKey is ZOIRUZQKYBIUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)11-4-6-13(8-14,7-5-11)17-10(3)12(15)16/h9-11H,4-8,14H2,1-3H3,(H2,15,16).
What are the key properties of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide?
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide is sourced from PubChem (CID 65052713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).