[2-(butylamino)-2-methylpropyl] 2-ethylbutanoate

C14H29NO2 — CID 82532186

IUPAC[2-(butylamino)-2-methylpropyl] 2-ethylbutanoate
SMILESCCCCNC(C)(C)COC(=O)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-6-9-10-15-14(4,5)11-17-13(16)12(7-2)8-3/h12,15H,6-11H2,1-5H3
InChIKeyCIUTYBZKRCDCTN-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.13
Rot. Bonds9

About [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate

[2-(butylamino)-2-methylpropyl] 2-ethylbutanoate (PubChem CID 82532186) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate.

Molecular Properties

Compound Name[2-(butylamino)-2-methylpropyl] 2-ethylbutanoate
PubChem CID82532186
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[2-(butylamino)-2-methylpropyl] 2-ethylbutanoate
SMILESCCCCNC(C)(C)COC(=O)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-6-9-10-15-14(4,5)11-17-13(16)12(7-2)8-3/h12,15H,6-11H2,1-5H3
InChIKeyCIUTYBZKRCDCTN-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
[2-methyl-2-(octylamino)propyl] prop-2-enoate
CID 89156763
icosyl 2-ethylbutanoate
CID 91709792
nonadecyl 2-ethylbutanoate
CID 91709791
ethyl 2-ethyldocosanoate
CID 175304380
[2,2-dimethyl-3-(2-propylheptanoyloxy)propyl] 2-propylheptanoate
CID 140885315
[2-(hexylamino)-2-methylpropyl] 4-aminobenzoate;hydrochloride
CID 138401565
N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
decyl 2-ethyldecanoate
CID 22665194
hexadecyl 2-ethyldecanoate
CID 22665192
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate?
The IUPAC name of [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate (CID 82532186) is [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate.
What is the SMILES notation for [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate?
The canonical SMILES for [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate is CCCCNC(C)(C)COC(=O)C(CC)CC.
What is the InChIKey of [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate?
The InChIKey is CIUTYBZKRCDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-9-10-15-14(4,5)11-17-13(16)12(7-2)8-3/h12,15H,6-11H2,1-5H3.
What are the key properties of [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate?
[2-(butylamino)-2-methylpropyl] 2-ethylbutanoate has a molecular weight of 243.39 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-methylpropyl] 2-ethylbutanoate is sourced from PubChem (CID 82532186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).