N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride

C11H24ClN3O — CID 11971785

IUPACN,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCCN(C)CC1.Cl
InChIInChI=1S/C11H23N3O.ClH/c1-4-13(5-2)11(15)14-8-6-7-12(3)9-10-14;/h4-10H2,1-3H3;1H
InChIKeyMCVMWPLZLYUUES-UHFFFAOYSA-N
MW249.79 g/mol
LogP1.51
Rot. Bonds2

About N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride

N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride (PubChem CID 11971785) has the molecular formula C11H24ClN3O and a molecular weight of 249.79 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride
PubChem CID11971785
Molecular FormulaC11H24ClN3O
Molecular Weight249.79 g/mol
Exact Mass249.16
IUPAC NameN,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCCN(C)CC1.Cl
InChIInChI=1S/C11H23N3O.ClH/c1-4-13(5-2)11(15)14-8-6-7-12(3)9-10-14;/h4-10H2,1-3H3;1H
InChIKeyMCVMWPLZLYUUES-UHFFFAOYSA-N
XLogP1.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;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 N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride (CID 11971785) is N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCCN(C)CC1.Cl.
What is the InChIKey of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride?
The InChIKey is MCVMWPLZLYUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.ClH/c1-4-13(5-2)11(15)14-8-6-7-12(3)9-10-14;/h4-10H2,1-3H3;1H.
What are the key properties of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride?
N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide;hydrochloride is sourced from PubChem (CID 11971785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).