N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine

C11H21N — CID 19787482

IUPACN-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine
SMILESCC1(C)C=CC(NC(C)(C)C)C1
InChIInChI=1S/C11H21N/c1-10(2,3)12-9-6-7-11(4,5)8-9/h6-7,9,12H,8H2,1-5H3
InChIKeySJZGZVBZCCUBPZ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds1

About N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine

N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine (PubChem CID 19787482) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine
PubChem CID19787482
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine
SMILESCC1(C)C=CC(NC(C)(C)C)C1
InChIInChI=1S/C11H21N/c1-10(2,3)12-9-6-7-11(4,5)8-9/h6-7,9,12H,8H2,1-5H3
InChIKeySJZGZVBZCCUBPZ-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine 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-4,4-dimethylcyclopent-2-en-1-amine?
The IUPAC name of N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine (CID 19787482) is N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine?
The canonical SMILES for N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine is CC1(C)C=CC(NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine?
The InChIKey is SJZGZVBZCCUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)12-9-6-7-11(4,5)8-9/h6-7,9,12H,8H2,1-5H3.
What are the key properties of N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine?
N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine is sourced from PubChem (CID 19787482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).