2-(2-methylpropylamino)ethyl 2-methylpropanoate

C10H21NO2 — CID 137470797

IUPAC2-(2-methylpropylamino)ethyl 2-methylpropanoate
SMILESCC(C)CNCCOC(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)7-11-5-6-13-10(12)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeySWZBPXFRPQQRLV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.43
Rot. Bonds6

About 2-(2-methylpropylamino)ethyl 2-methylpropanoate

2-(2-methylpropylamino)ethyl 2-methylpropanoate (PubChem CID 137470797) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(2-methylpropylamino)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(2-methylpropylamino)ethyl 2-methylpropanoate
PubChem CID137470797
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(2-methylpropylamino)ethyl 2-methylpropanoate
SMILESCC(C)CNCCOC(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)7-11-5-6-13-10(12)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeySWZBPXFRPQQRLV-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropylamino)ethyl N-ethylcarbamate
CID 138728445
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
3-(3-methylbutylamino)propyl 2-methylpropanoate
CID 82532012
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
CID 23621651
2-(2-methylpropylamino)ethyl 3-aminobenzoate
CID 11115
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate
CID 166733434
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)ethyl 2-methylpropanoate?
The IUPAC name of 2-(2-methylpropylamino)ethyl 2-methylpropanoate (CID 137470797) is 2-(2-methylpropylamino)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(2-methylpropylamino)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(2-methylpropylamino)ethyl 2-methylpropanoate is CC(C)CNCCOC(=O)C(C)C.
What is the InChIKey of 2-(2-methylpropylamino)ethyl 2-methylpropanoate?
The InChIKey is SWZBPXFRPQQRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)7-11-5-6-13-10(12)9(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-(2-methylpropylamino)ethyl 2-methylpropanoate?
2-(2-methylpropylamino)ethyl 2-methylpropanoate has a molecular weight of 187.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)ethyl 2-methylpropanoate is sourced from PubChem (CID 137470797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).