2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide

C9H21IN2O3 — CID 173355847

IUPAC2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
SMILESCC(C)COCCOC(=O)NCCN.I
InChIInChI=1S/C9H20N2O3.HI/c1-8(2)7-13-5-6-14-9(12)11-4-3-10;/h8H,3-7,10H2,1-2H3,(H,11,12);1H
InChIKeyVXQVMLQYENRCQG-UHFFFAOYSA-N
MW332.18 g/mol
LogP0.96
Rot. Bonds7

About 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide

2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide (PubChem CID 173355847) has the molecular formula C9H21IN2O3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
PubChem CID173355847
Molecular FormulaC9H21IN2O3
Molecular Weight332.18 g/mol
Exact Mass332.06
IUPAC Name2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
SMILESCC(C)COCCOC(=O)NCCN.I
InChIInChI=1S/C9H20N2O3.HI/c1-8(2)7-13-5-6-14-9(12)11-4-3-10;/h8H,3-7,10H2,1-2H3,(H,11,12);1H
InChIKeyVXQVMLQYENRCQG-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
CID 107837699
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
CID 106448880
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide?
The IUPAC name of 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide (CID 173355847) is 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide?
The canonical SMILES for 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide is CC(C)COCCOC(=O)NCCN.I.
What is the InChIKey of 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide?
The InChIKey is VXQVMLQYENRCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3.HI/c1-8(2)7-13-5-6-14-9(12)11-4-3-10;/h8H,3-7,10H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide?
2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide has a molecular weight of 332.18 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide is sourced from PubChem (CID 173355847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).