N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C12H21NO — CID 565668

IUPACN-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-8(2)7-13-12(14)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyHKOPGLPHIFMKDB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.19
Rot. Bonds3

About N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 565668) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID565668
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-8(2)7-13-12(14)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyHKOPGLPHIFMKDB-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 565668) is N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)CNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HKOPGLPHIFMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)7-13-12(14)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 565668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).