3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide

C13H27N3O2 — CID 114127430

IUPAC3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H27N3O2/c1-16(2)7-9-18-8-6-15-13(17)11-4-3-5-12(14)10-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyUVCXNRWAQWYQLZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide (PubChem CID 114127430) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
PubChem CID114127430
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H27N3O2/c1-16(2)7-9-18-8-6-15-13(17)11-4-3-5-12(14)10-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyUVCXNRWAQWYQLZ-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
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-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide 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

N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide (CID 114127430) is 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide is CN(C)CCOCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide?
The InChIKey is UVCXNRWAQWYQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-16(2)7-9-18-8-6-15-13(17)11-4-3-5-12(14)10-11/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114127430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).