ethyl 3-[bis(3-methylbutyl)amino]butanoate

C16H33NO2 — CID 107870305

IUPACethyl 3-[bis(3-methylbutyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H33NO2/c1-7-19-16(18)12-15(6)17(10-8-13(2)3)11-9-14(4)5/h13-15H,7-12H2,1-6H3
InChIKeyFEVJNEWIHVNOPB-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.72
Rot. Bonds10

About ethyl 3-[bis(3-methylbutyl)amino]butanoate

ethyl 3-[bis(3-methylbutyl)amino]butanoate (PubChem CID 107870305) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is ethyl 3-[bis(3-methylbutyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[bis(3-methylbutyl)amino]butanoate
PubChem CID107870305
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Nameethyl 3-[bis(3-methylbutyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H33NO2/c1-7-19-16(18)12-15(6)17(10-8-13(2)3)11-9-14(4)5/h13-15H,7-12H2,1-6H3
InChIKeyFEVJNEWIHVNOPB-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
4-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870497
3-[bis(3-methylbutyl)amino]butanehydrazide
CID 114011284
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl 3-amino-7-methyloctanoate;hydrochloride
CID 155858971
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
bismuthane;ethyl 6-methylheptanoate
CID 175540267

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(3-methylbutyl)amino]butanoate?
The IUPAC name of ethyl 3-[bis(3-methylbutyl)amino]butanoate (CID 107870305) is ethyl 3-[bis(3-methylbutyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[bis(3-methylbutyl)amino]butanoate?
The canonical SMILES for ethyl 3-[bis(3-methylbutyl)amino]butanoate is CCOC(=O)CC(C)N(CCC(C)C)CCC(C)C.
What is the InChIKey of ethyl 3-[bis(3-methylbutyl)amino]butanoate?
The InChIKey is FEVJNEWIHVNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-19-16(18)12-15(6)17(10-8-13(2)3)11-9-14(4)5/h13-15H,7-12H2,1-6H3.
What are the key properties of ethyl 3-[bis(3-methylbutyl)amino]butanoate?
ethyl 3-[bis(3-methylbutyl)amino]butanoate has a molecular weight of 271.44 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bis(3-methylbutyl)amino]butanoate is sourced from PubChem (CID 107870305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).