ethyl N-(2-aminoethylamino)carbamate

C5H13N3O2 — CID 134311496

IUPACethyl N-(2-aminoethylamino)carbamate
SMILESCCOC(=O)NNCCN
InChIInChI=1S/C5H13N3O2/c1-2-10-5(9)8-7-4-3-6/h7H,2-4,6H2,1H3,(H,8,9)
InChIKeyTYLJGBHQTJYITD-UHFFFAOYSA-N
MW147.18 g/mol
LogP-0.80
Rot. Bonds4

About ethyl N-(2-aminoethylamino)carbamate

ethyl N-(2-aminoethylamino)carbamate (PubChem CID 134311496) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is ethyl N-(2-aminoethylamino)carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethylamino)carbamate
PubChem CID134311496
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Nameethyl N-(2-aminoethylamino)carbamate
SMILESCCOC(=O)NNCCN
InChIInChI=1S/C5H13N3O2/c1-2-10-5(9)8-7-4-3-6/h7H,2-4,6H2,1H3,(H,8,9)
InChIKeyTYLJGBHQTJYITD-UHFFFAOYSA-N
XLogP-0.80
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-(2-aminoethylamino)carbamate 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

ethyl N-(propylamino)carbamate
CID 88968739
amino N-(2-aminoethylamino)carbamate
CID 174869437
ethyl N-(2,2-dimethylbutylamino)carbamate
CID 89257076
ethyl N-(methylcarbamoylamino)carbamate
CID 568737
ethyl N-hydroxycarbamate
CID 11510
ethyl N-hydroxysulfanylcarbamate
CID 175112420
ethyl N-propylcarbamate
CID 12199
ethyl N-[2-(2-nitrophenyl)ethylamino]carbamate
CID 70036297
ethyl N-iodocarbamate
CID 21443578
CID 88818502
CID 88818502
ethyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 74889816
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethylamino)carbamate?
The IUPAC name of ethyl N-(2-aminoethylamino)carbamate (CID 134311496) is ethyl N-(2-aminoethylamino)carbamate.
What is the SMILES notation for ethyl N-(2-aminoethylamino)carbamate?
The canonical SMILES for ethyl N-(2-aminoethylamino)carbamate is CCOC(=O)NNCCN.
What is the InChIKey of ethyl N-(2-aminoethylamino)carbamate?
The InChIKey is TYLJGBHQTJYITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-2-10-5(9)8-7-4-3-6/h7H,2-4,6H2,1H3,(H,8,9).
What are the key properties of ethyl N-(2-aminoethylamino)carbamate?
ethyl N-(2-aminoethylamino)carbamate has a molecular weight of 147.18 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethylamino)carbamate is sourced from PubChem (CID 134311496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).