N-heptylbicyclo[2.2.1]heptane-2-carboxamide

C15H27NO — CID 598367

IUPACN-heptylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-9-16-15(17)14-11-12-7-8-13(14)10-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyWPWKRTTVSJZWBF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.51
Rot. Bonds7

About N-heptylbicyclo[2.2.1]heptane-2-carboxamide

N-heptylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 598367) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-heptylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-heptylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID598367
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-heptylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-9-16-15(17)14-11-12-7-8-13(14)10-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyWPWKRTTVSJZWBF-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-heptylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-heptylbicyclo[2.2.1]heptane-2-carboxamide (CID 598367) is N-heptylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-heptylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-heptylbicyclo[2.2.1]heptane-2-carboxamide is CCCCCCCNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-heptylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WPWKRTTVSJZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-5-6-9-16-15(17)14-11-12-7-8-13(14)10-12/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of N-heptylbicyclo[2.2.1]heptane-2-carboxamide?
N-heptylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 237.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 598367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).