3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride

C15H33Cl2N3O — CID 119852537

IUPAC3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-3-18(4-2)11-6-5-10-17-15(19)13-8-7-9-14(16)12-13;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyJJKQOOSOUGBIEH-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.59
Rot. Bonds8

About 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119852537) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119852537
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-3-18(4-2)11-6-5-10-17-15(19)13-8-7-9-14(16)12-13;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyJJKQOOSOUGBIEH-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119852537) is 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride is CCN(CC)CCCCNC(=O)C1CCCC(N)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is JJKQOOSOUGBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-3-18(4-2)11-6-5-10-17-15(19)13-8-7-9-14(16)12-13;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119852537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).