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

C15H28N2O — CID 3063899

IUPACN-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H28N2O/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)
InChIKeyUFPIMGMGPSCFNF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.27
Rot. Bonds7

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

N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3063899) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3063899
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H28N2O/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)
InChIKeyUFPIMGMGPSCFNF-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.27
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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Related Compounds

N-(1-Bicyclo[2.2.1]hept-2-ylethyl)cyclopentanecarboxamide
CID 541723
2-bicyclo[2.2.1]hept-2-yl-N-cyclooctylacetamide
CID 6624535
Bicyclo[2.2.1]heptane-2-carboxylic acid isobutyl-amide
CID 565668
Valeramide, N-methyl-N-((3-methyl-2-norbornyl)methyl)-
CID 206946
2-Norbornanecarboxamide, N-(3-(diethylamino)propyl)-, hydrochloride
CID 3063898
Bicyclo[2.2.1]heptane-2-carboxamide, N,N-diethyl-
CID 565667
Bicyclo[2.2.1]heptane-2-carboxylic acid diisobutylamide
CID 559669
N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)acetamide
CID 4033917
2,3-Norbornanedicarboxamide, N,N,N',N'-tetraethyl-
CID 428728
N-butylbicyclo[2.2.1]heptane-2-carboxamide
CID 4986879
6-fluoro-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 177851921
N-acetyl-2-aminomethylnorbornane
CID 12316781

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 3063899) is N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is CCN(CC)CCCNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UFPIMGMGPSCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/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).
What are the key properties of N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.27, 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 is sourced from PubChem (CID 3063899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).