ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate

C17H34N2O2 — CID 107401030

IUPACethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CCCN(CC)CC1CCC1)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-5-18-17(4,16(20)21-7-3)12-9-13-19(6-2)14-15-10-8-11-15/h15,18H,5-14H2,1-4H3
InChIKeyZQTNBPLEVHDHLU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds11

About ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate

ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate (PubChem CID 107401030) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
PubChem CID107401030
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CCCN(CC)CC1CCC1)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-5-18-17(4,16(20)21-7-3)12-9-13-19(6-2)14-15-10-8-11-15/h15,18H,5-14H2,1-4H3
InChIKeyZQTNBPLEVHDHLU-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
ethyl 5-cyclopentylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 63115258
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
CID 102996567
6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
CID 62861901
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate?
The IUPAC name of ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate (CID 107401030) is ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate is CCNC(C)(CCCN(CC)CC1CCC1)C(=O)OCC.
What is the InChIKey of ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate?
The InChIKey is ZQTNBPLEVHDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-18-17(4,16(20)21-7-3)12-9-13-19(6-2)14-15-10-8-11-15/h15,18H,5-14H2,1-4H3.
What are the key properties of ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate?
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 107401030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).