2-aminoethyl propyl carbonate

C6H13NO3 — CID 58684522

IUPAC2-aminoethyl propyl carbonate
SMILESCCCOC(=O)OCCN
InChIInChI=1S/C6H13NO3/c1-2-4-9-6(8)10-5-3-7/h2-5,7H2,1H3
InChIKeyLQZNCUUTMRUVLZ-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.51
Rot. Bonds4

About 2-aminoethyl propyl carbonate

2-aminoethyl propyl carbonate (PubChem CID 58684522) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-aminoethyl propyl carbonate.

Molecular Properties

Compound Name2-aminoethyl propyl carbonate
PubChem CID58684522
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-aminoethyl propyl carbonate
SMILESCCCOC(=O)OCCN
InChIInChI=1S/C6H13NO3/c1-2-4-9-6(8)10-5-3-7/h2-5,7H2,1H3
InChIKeyLQZNCUUTMRUVLZ-UHFFFAOYSA-N
XLogP0.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-aminoethyl propyl carbonate 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-(Methoxymethoxy)ethanamine
CID 14654469
Ethyl 2-(methylamino)ethyl carbonate
CID 21569592
2-Methoxy-2-propoxyethanamine
CID 22766276
2-(Trimethoxymethoxy)ethanamine
CID 53908099
2-(Ethoxymethoxy)ethanamine
CID 54113638
2-Aminoethyl methyl carbonate
CID 55288697
Bis(2-aminoethyl) carbonate
CID 55290552
2-Aminoethyl ethyl carbonate
CID 56991737
Bis(1-aminoethyl) carbonate
CID 57227763
Bis(2-aminoethyl) carbonate;hydrochloride
CID 57454907
2-Aminoethyl propan-2-yl carbonate
CID 58655480
2-Aminoethyl tert-butyl carbonate
CID 58684149

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl propyl carbonate?
The IUPAC name of 2-aminoethyl propyl carbonate (CID 58684522) is 2-aminoethyl propyl carbonate.
What is the SMILES notation for 2-aminoethyl propyl carbonate?
The canonical SMILES for 2-aminoethyl propyl carbonate is CCCOC(=O)OCCN.
What is the InChIKey of 2-aminoethyl propyl carbonate?
The InChIKey is LQZNCUUTMRUVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-4-9-6(8)10-5-3-7/h2-5,7H2,1H3.
What are the key properties of 2-aminoethyl propyl carbonate?
2-aminoethyl propyl carbonate has a molecular weight of 147.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl propyl carbonate is sourced from PubChem (CID 58684522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).