ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate

C15H29NO3 — CID 65052370

IUPACethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
SMILESCCCC1CCC(CN)(OC(C)C(=O)OCC)CC1
InChIInChI=1S/C15H29NO3/c1-4-6-13-7-9-15(11-16,10-8-13)19-12(3)14(17)18-5-2/h12-13H,4-11,16H2,1-3H3
InChIKeyVHUALRATSIQRTG-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.64
Rot. Bonds7

About ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate

ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate (PubChem CID 65052370) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
PubChem CID65052370
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
SMILESCCCC1CCC(CN)(OC(C)C(=O)OCC)CC1
InChIInChI=1S/C15H29NO3/c1-4-6-13-7-9-15(11-16,10-8-13)19-12(3)14(17)18-5-2/h12-13H,4-11,16H2,1-3H3
InChIKeyVHUALRATSIQRTG-UHFFFAOYSA-N
XLogP2.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate?
The IUPAC name of ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate (CID 65052370) is ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate.
What is the SMILES notation for ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate?
The canonical SMILES for ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate is CCCC1CCC(CN)(OC(C)C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate?
The InChIKey is VHUALRATSIQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-6-13-7-9-15(11-16,10-8-13)19-12(3)14(17)18-5-2/h12-13H,4-11,16H2,1-3H3.
What are the key properties of ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate?
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate has a molecular weight of 271.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate is sourced from PubChem (CID 65052370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).