tert-butyl N-(2-aminopropoxy)-N-methylcarbamate

C9H20N2O3 — CID 105456367

IUPACtert-butyl N-(2-aminopropoxy)-N-methylcarbamate
SMILESCC(N)CON(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-7(10)6-13-11(5)8(12)14-9(2,3)4/h7H,6,10H2,1-5H3
InChIKeySSXYQDKJUZGIBW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.13
Rot. Bonds3

About tert-butyl N-(2-aminopropoxy)-N-methylcarbamate

tert-butyl N-(2-aminopropoxy)-N-methylcarbamate (PubChem CID 105456367) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl N-(2-aminopropoxy)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminopropoxy)-N-methylcarbamate
PubChem CID105456367
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Nametert-butyl N-(2-aminopropoxy)-N-methylcarbamate
SMILESCC(N)CON(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-7(10)6-13-11(5)8(12)14-9(2,3)4/h7H,6,10H2,1-5H3
InChIKeySSXYQDKJUZGIBW-UHFFFAOYSA-N
XLogP1.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
CID 2755977
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
CID 154001260
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
CID 145146307
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminopropoxy)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-aminopropoxy)-N-methylcarbamate (CID 105456367) is tert-butyl N-(2-aminopropoxy)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminopropoxy)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminopropoxy)-N-methylcarbamate is CC(N)CON(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminopropoxy)-N-methylcarbamate?
The InChIKey is SSXYQDKJUZGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(10)6-13-11(5)8(12)14-9(2,3)4/h7H,6,10H2,1-5H3.
What are the key properties of tert-butyl N-(2-aminopropoxy)-N-methylcarbamate?
tert-butyl N-(2-aminopropoxy)-N-methylcarbamate has a molecular weight of 204.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminopropoxy)-N-methylcarbamate is sourced from PubChem (CID 105456367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).