3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

C13H27ClN2O3 — CID 119693905

IUPAC3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCOCCCNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-17-8-9-18-7-3-6-15-13(16)11-4-2-5-12(14)10-11;/h11-12H,2-10,14H2,1H3,(H,15,16);1H
InChIKeyZFSGORJZESFKTN-UHFFFAOYSA-N
MW294.82 g/mol
LogP1.10
Rot. Bonds8

About 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119693905) has the molecular formula C13H27ClN2O3 and a molecular weight of 294.82 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119693905
Molecular FormulaC13H27ClN2O3
Molecular Weight294.82 g/mol
Exact Mass294.17
IUPAC Name3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCOCCCNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-17-8-9-18-7-3-6-15-13(16)11-4-2-5-12(14)10-11;/h11-12H,2-10,14H2,1H3,(H,15,16);1H
InChIKeyZFSGORJZESFKTN-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-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

Related Compounds

3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
CID 113423463
3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 114127430
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 119693905) is 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is COCCOCCCNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZFSGORJZESFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3.ClH/c1-17-8-9-18-7-3-6-15-13(16)11-4-2-5-12(14)10-11;/h11-12H,2-10,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 294.82 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119693905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).