ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate

C15H29NO2 — CID 66981002

IUPACethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C(C)NC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-5-18-15(17)14(11(2)3)12(4)16-13-9-7-6-8-10-13/h11-14,16H,5-10H2,1-4H3
InChIKeyVORQPLRGVZZGTQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate

ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate (PubChem CID 66981002) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate
PubChem CID66981002
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C(C)NC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-5-18-15(17)14(11(2)3)12(4)16-13-9-7-6-8-10-13/h11-14,16H,5-10H2,1-4H3
InChIKeyVORQPLRGVZZGTQ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate?
The IUPAC name of ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate (CID 66981002) is ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate is CCOC(=O)C(C(C)C)C(C)NC1CCCCC1.
What is the InChIKey of ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate?
The InChIKey is VORQPLRGVZZGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-18-15(17)14(11(2)3)12(4)16-13-9-7-6-8-10-13/h11-14,16H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate?
ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate is sourced from PubChem (CID 66981002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).