ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate

C13H27NO2 — CID 115128915

IUPACethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)CCCC(C)C
InChIInChI=1S/C13H27NO2/c1-7-16-12(15)13(4,5)14(6)10-8-9-11(2)3/h11H,7-10H2,1-6H3
InChIKeyFAQAQYUZPZQXST-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.70
Rot. Bonds7

About ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate

ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate (PubChem CID 115128915) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
PubChem CID115128915
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)CCCC(C)C
InChIInChI=1S/C13H27NO2/c1-7-16-12(15)13(4,5)14(6)10-8-9-11(2)3/h11H,7-10H2,1-6H3
InChIKeyFAQAQYUZPZQXST-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
CID 115128935
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994
2-ethoxycarbonyl-2-ethyl-6-methylheptanoic acid
CID 103974556
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
methyl 2,2-dimethyl-3-[methyl(4-methylpentyl)amino]-3-oxopropanoate
CID 115174897
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
diethyl 2-methyl-2-[2-(3-methylbutoxy)ethyl]propanedioate
CID 103972541
1-O-(3,7-dimethyloctyl) 3-O-ethyl 2,2-diethylpropanedioate
CID 91725837
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate (CID 115128915) is ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate is CCOC(=O)C(C)(C)N(C)CCCC(C)C.
What is the InChIKey of ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate?
The InChIKey is FAQAQYUZPZQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-16-12(15)13(4,5)14(6)10-8-9-11(2)3/h11H,7-10H2,1-6H3.
What are the key properties of ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate?
ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate has a molecular weight of 229.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate is sourced from PubChem (CID 115128915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).