butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane

C16H35NO2 — CID 155693109

IUPACbutyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane
SMILESCC.CCCCOC(=O)C(CCCC)CN(C)CC
InChIInChI=1S/C14H29NO2.C2H6/c1-5-8-10-13(12-15(4)7-3)14(16)17-11-9-6-2;1-2/h13H,5-12H2,1-4H3;1-2H3
InChIKeyIMBOOLWLCURKDM-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.11
Rot. Bonds10

About butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane

butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane (PubChem CID 155693109) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane.

Molecular Properties

Compound Namebutyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane
PubChem CID155693109
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Namebutyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane
SMILESCC.CCCCOC(=O)C(CCCC)CN(C)CC
InChIInChI=1S/C14H29NO2.C2H6/c1-5-8-10-13(12-15(4)7-3)14(16)17-11-9-6-2;1-2/h13H,5-12H2,1-4H3;1-2H3
InChIKeyIMBOOLWLCURKDM-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-butylhexanoate;stannane
CID 172996715
butyl 2-butyldocosanoate
CID 175080024
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
tetradecyl 2-butylhexanoate
CID 91318887
undecyl 2-(aminomethyl)hexanoate
CID 21259295
3-(dimethylamino)propyl 2-butylheptanoate
CID 90858053
propyl 2-(aminomethyl)hexanoate
CID 175966653
octyl 2-butyldocosanoate
CID 174740469
3-(dimethylamino)propyl 2-butyloctanoate
CID 139372197
tetrakis(3-butoxycarbonylheptanoate);tin(4+)
CID 158382451
ethane;10-[ethyl(propyl)amino]decyl 2-butyloctanoate;heptyl 2-butyloctanoate
CID 176680676

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane?
The IUPAC name of butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane (CID 155693109) is butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane.
What is the SMILES notation for butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane?
The canonical SMILES for butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane is CC.CCCCOC(=O)C(CCCC)CN(C)CC.
What is the InChIKey of butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane?
The InChIKey is IMBOOLWLCURKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C2H6/c1-5-8-10-13(12-15(4)7-3)14(16)17-11-9-6-2;1-2/h13H,5-12H2,1-4H3;1-2H3.
What are the key properties of butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane?
butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane has a molecular weight of 273.46 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[ethyl(methyl)amino]methyl]hexanoate;ethane is sourced from PubChem (CID 155693109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).