N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C15H25NO — CID 4633200

IUPACN-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NC(C)(C)C)CCC(C2)C1(C)C
InChIInChI=1S/C15H25NO/c1-10-14(5,6)11-7-8-15(10,9-11)12(17)16-13(2,3)4/h11H,1,7-9H2,2-6H3,(H,16,17)
InChIKeyYFHUIBVOBWLDFX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds1

About N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4633200) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4633200
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NC(C)(C)C)CCC(C2)C1(C)C
InChIInChI=1S/C15H25NO/c1-10-14(5,6)11-7-8-15(10,9-11)12(17)16-13(2,3)4/h11H,1,7-9H2,2-6H3,(H,16,17)
InChIKeyYFHUIBVOBWLDFX-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 4633200) is N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)NC(C)(C)C)CCC(C2)C1(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is YFHUIBVOBWLDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-14(5,6)11-7-8-15(10,9-11)12(17)16-13(2,3)4/h11H,1,7-9H2,2-6H3,(H,16,17).
What are the key properties of N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4633200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).