tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate

C17H28N2O2 — CID 60680973

IUPACtert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
SMILESCN(CCCNCC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)13-18-11-8-12-19(4)14-15-9-6-5-7-10-15/h5-7,9-10,18H,8,11-14H2,1-4H3
InChIKeyOLAJWHYYPJYJFT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.44
Rot. Bonds8

About tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate

tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate (PubChem CID 60680973) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
PubChem CID60680973
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
SMILESCN(CCCNCC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)13-18-11-8-12-19(4)14-15-9-6-5-7-10-15/h5-7,9-10,18H,8,11-14H2,1-4H3
InChIKeyOLAJWHYYPJYJFT-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.44
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 N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
tert-butyl N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]carbamate
CID 41307191
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate?
The IUPAC name of tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate (CID 60680973) is tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate.
What is the SMILES notation for tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate?
The canonical SMILES for tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate is CN(CCCNCC(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate?
The InChIKey is OLAJWHYYPJYJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)13-18-11-8-12-19(4)14-15-9-6-5-7-10-15/h5-7,9-10,18H,8,11-14H2,1-4H3.
What are the key properties of tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate?
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate has a molecular weight of 292.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate is sourced from PubChem (CID 60680973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).