ethyl 3-(cyclohexylmethylamino)propanoate

C12H23NO2 — CID 10375928

IUPACethyl 3-(cyclohexylmethylamino)propanoate
SMILESCCOC(=O)CCNCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h11,13H,2-10H2,1H3
InChIKeyRUMMXHMYUUTGIC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds6

About ethyl 3-(cyclohexylmethylamino)propanoate

ethyl 3-(cyclohexylmethylamino)propanoate (PubChem CID 10375928) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 3-(cyclohexylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexylmethylamino)propanoate
PubChem CID10375928
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 3-(cyclohexylmethylamino)propanoate
SMILESCCOC(=O)CCNCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h11,13H,2-10H2,1H3
InChIKeyRUMMXHMYUUTGIC-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexylmethylamino)propanoate?
The IUPAC name of ethyl 3-(cyclohexylmethylamino)propanoate (CID 10375928) is ethyl 3-(cyclohexylmethylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclohexylmethylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclohexylmethylamino)propanoate is CCOC(=O)CCNCC1CCCCC1.
What is the InChIKey of ethyl 3-(cyclohexylmethylamino)propanoate?
The InChIKey is RUMMXHMYUUTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h11,13H,2-10H2,1H3.
What are the key properties of ethyl 3-(cyclohexylmethylamino)propanoate?
ethyl 3-(cyclohexylmethylamino)propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexylmethylamino)propanoate is sourced from PubChem (CID 10375928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).