2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide

C14H28N2O2 — CID 65051264

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)OC1(CN)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-4-16(5-2)13(17)12(3)18-14(11-15)9-7-6-8-10-14/h12H,4-11,15H2,1-3H3
InChIKeyKOMHUKZVRMWNON-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide

2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide (PubChem CID 65051264) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
PubChem CID65051264
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)OC1(CN)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-4-16(5-2)13(17)12(3)18-14(11-15)9-7-6-8-10-14/h12H,4-11,15H2,1-3H3
InChIKeyKOMHUKZVRMWNON-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide (CID 65051264) is 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)OC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide?
The InChIKey is KOMHUKZVRMWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-16(5-2)13(17)12(3)18-14(11-15)9-7-6-8-10-14/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide?
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide is sourced from PubChem (CID 65051264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).