propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate

C11H22N2O2 — CID 62976857

IUPACpropan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
SMILESCC(C)OC(=O)CNCCN(C)C1CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-11(14)8-12-6-7-13(3)10-4-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyCJIFSYJVZYXUSY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds7

About propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate

propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate (PubChem CID 62976857) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
PubChem CID62976857
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepropan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
SMILESCC(C)OC(=O)CNCCN(C)C1CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-11(14)8-12-6-7-13(3)10-4-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyCJIFSYJVZYXUSY-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylpropanamide
CID 62976125
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate?
The IUPAC name of propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate (CID 62976857) is propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate?
The canonical SMILES for propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate is CC(C)OC(=O)CNCCN(C)C1CC1.
What is the InChIKey of propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate?
The InChIKey is CJIFSYJVZYXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)15-11(14)8-12-6-7-13(3)10-4-5-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate?
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate is sourced from PubChem (CID 62976857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).