2-propan-2-yloxyethyl N-aminocarbamate

C6H14N2O3 — CID 154208256

IUPAC2-propan-2-yloxyethyl N-aminocarbamate
SMILESCC(C)OCCOC(=O)NN
InChIInChI=1S/C6H14N2O3/c1-5(2)10-3-4-11-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyWGGGEWOUMJZLTJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.01
Rot. Bonds4

About 2-propan-2-yloxyethyl N-aminocarbamate

2-propan-2-yloxyethyl N-aminocarbamate (PubChem CID 154208256) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl N-aminocarbamate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl N-aminocarbamate
PubChem CID154208256
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-propan-2-yloxyethyl N-aminocarbamate
SMILESCC(C)OCCOC(=O)NN
InChIInChI=1S/C6H14N2O3/c1-5(2)10-3-4-11-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyWGGGEWOUMJZLTJ-UHFFFAOYSA-N
XLogP0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl bicarbamate
CID 88220
(Propan-2-yloxy)carbohydrazide
CID 235149
2-Hydroxypropyl carbazate
CID 3017679
(Butan-2-yloxy)carbohydrazide
CID 12708347
1-hydroxypropan-2-yl N-aminocarbamate
CID 236170
Dibutan-2-yl hydrazine-1,2-dicarboxylate
CID 12525949
2-methoxyethyl N-aminocarbamate
CID 12708348
propyl N-aminocarbamate
CID 13240964
2-ethoxyethyl N-aminocarbamate
CID 15790261
(Propan-2-yloxycarbonylamino)carbamic acid
CID 18751483
propan-2-yl N-(methoxycarbonylamino)carbamate
CID 54044770
2-(hydrazinecarbonylperoxy)propyl N-aminocarbamate
CID 54234439

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl N-aminocarbamate?
The IUPAC name of 2-propan-2-yloxyethyl N-aminocarbamate (CID 154208256) is 2-propan-2-yloxyethyl N-aminocarbamate.
What is the SMILES notation for 2-propan-2-yloxyethyl N-aminocarbamate?
The canonical SMILES for 2-propan-2-yloxyethyl N-aminocarbamate is CC(C)OCCOC(=O)NN.
What is the InChIKey of 2-propan-2-yloxyethyl N-aminocarbamate?
The InChIKey is WGGGEWOUMJZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-5(2)10-3-4-11-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-propan-2-yloxyethyl N-aminocarbamate?
2-propan-2-yloxyethyl N-aminocarbamate has a molecular weight of 162.19 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl N-aminocarbamate is sourced from PubChem (CID 154208256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).