3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C21H35Cl2N3O — CID 119849953

IUPAC3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1C2CCC(C2)C1N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-3-24(4-2)18(12-15-8-6-5-7-9-15)14-23-21(25)19-16-10-11-17(13-16)20(19)22;;/h5-9,16-20H,3-4,10-14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyVLMXNJWHYWQNRH-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.27
Rot. Bonds8

About 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119849953) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119849953
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC Name3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1C2CCC(C2)C1N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-3-24(4-2)18(12-15-8-6-5-7-9-15)14-23-21(25)19-16-10-11-17(13-16)20(19)22;;/h5-9,16-20H,3-4,10-14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyVLMXNJWHYWQNRH-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride
CID 119849955
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819932
methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
CID 119786318
1-amino-N-[2-(diethylamino)-3-phenylpropyl]cyclopentane-1-carboxamide
CID 119849960
3-amino-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119800687
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone
CID 116580664
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
N-[2-(diethylamino)-3-phenylpropyl]morpholine-3-carboxamide
CID 119849942

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119849953) is 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)C1C2CCC(C2)C1N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is VLMXNJWHYWQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-3-24(4-2)18(12-15-8-6-5-7-9-15)14-23-21(25)19-16-10-11-17(13-16)20(19)22;;/h5-9,16-20H,3-4,10-14,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119849953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).