ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride

C10H19ClN4O2 — CID 115616317

IUPACethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride
SMILESCCOC(=O)NCCNCc1nccn1C.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-3-16-10(15)13-5-4-11-8-9-12-6-7-14(9)2;/h6-7,11H,3-5,8H2,1-2H3,(H,13,15);1H
InChIKeyWCHNDVJZPRJFLZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.68
Rot. Bonds6

About ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride

ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride (PubChem CID 115616317) has the molecular formula C10H19ClN4O2 and a molecular weight of 262.74 g/mol. Its IUPAC name is ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride
PubChem CID115616317
Molecular FormulaC10H19ClN4O2
Molecular Weight262.74 g/mol
Exact Mass262.12
IUPAC Nameethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride
SMILESCCOC(=O)NCCNCc1nccn1C.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-3-16-10(15)13-5-4-11-8-9-12-6-7-14(9)2;/h6-7,11H,3-5,8H2,1-2H3,(H,13,15);1H
InChIKeyWCHNDVJZPRJFLZ-UHFFFAOYSA-N
XLogP0.68
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride (CID 115616317) is ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride is CCOC(=O)NCCNCc1nccn1C.Cl.
What is the InChIKey of ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride?
The InChIKey is WCHNDVJZPRJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2.ClH/c1-3-16-10(15)13-5-4-11-8-9-12-6-7-14(9)2;/h6-7,11H,3-5,8H2,1-2H3,(H,13,15);1H.
What are the key properties of ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride?
ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride is sourced from PubChem (CID 115616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).