N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C15H29ClN2O — CID 3063898

IUPACN-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)C1CC2CCC1C2.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-17(4-2)9-5-8-16-15(18)14-11-12-6-7-13(14)10-12;/h12-14H,3-11H2,1-2H3,(H,16,18);1H
InChIKeyIZIMIYWXRFSPHI-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.69
Rot. Bonds7

About N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 3063898) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID3063898
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC NameN-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)C1CC2CCC1C2.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-17(4-2)9-5-8-16-15(18)14-11-12-6-7-13(14)10-12;/h12-14H,3-11H2,1-2H3,(H,16,18);1H
InChIKeyIZIMIYWXRFSPHI-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 3063898) is N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCN(CC)CCCNC(=O)C1CC2CCC1C2.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is IZIMIYWXRFSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-3-17(4-2)9-5-8-16-15(18)14-11-12-6-7-13(14)10-12;/h12-14H,3-11H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 3063898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).