ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate

C14H28N2O2 — CID 55145440

IUPACethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
SMILESCCCCN(C)CCC(NC1CC1)C(=O)OCC
InChIInChI=1S/C14H28N2O2/c1-4-6-10-16(3)11-9-13(14(17)18-5-2)15-12-7-8-12/h12-13,15H,4-11H2,1-3H3
InChIKeyRLNZRPDSKUMJQM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds10

About ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate

ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate (PubChem CID 55145440) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
PubChem CID55145440
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
SMILESCCCCN(C)CCC(NC1CC1)C(=O)OCC
InChIInChI=1S/C14H28N2O2/c1-4-6-10-16(3)11-9-13(14(17)18-5-2)15-12-7-8-12/h12-13,15H,4-11H2,1-3H3
InChIKeyRLNZRPDSKUMJQM-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate?
The IUPAC name of ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate (CID 55145440) is ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate.
What is the SMILES notation for ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate?
The canonical SMILES for ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate is CCCCN(C)CCC(NC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate?
The InChIKey is RLNZRPDSKUMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-6-10-16(3)11-9-13(14(17)18-5-2)15-12-7-8-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate?
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate is sourced from PubChem (CID 55145440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).