N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide

C14H24N2O — CID 135397804

IUPACN-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide
SMILESCC(C)(C)NC(=O)N1C2CC3CCC1C(C3)C2
InChIInChI=1S/C14H24N2O/c1-14(2,3)15-13(17)16-11-7-9-4-5-12(16)10(6-9)8-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyHGPRQXGTGUJYID-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds

About N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide

N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide (PubChem CID 135397804) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide
PubChem CID135397804
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide
SMILESCC(C)(C)NC(=O)N1C2CC3CCC1C(C3)C2
InChIInChI=1S/C14H24N2O/c1-14(2,3)15-13(17)16-11-7-9-4-5-12(16)10(6-9)8-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyHGPRQXGTGUJYID-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide?
The IUPAC name of N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide (CID 135397804) is N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide.
What is the SMILES notation for N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide?
The canonical SMILES for N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide is CC(C)(C)NC(=O)N1C2CC3CCC1C(C3)C2.
What is the InChIKey of N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide?
The InChIKey is HGPRQXGTGUJYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)15-13(17)16-11-7-9-4-5-12(16)10(6-9)8-11/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide?
N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-azatricyclo[4.3.1.03,8]decane-2-carboxamide is sourced from PubChem (CID 135397804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).