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

C11H22ClN — CID 19787481

IUPACN-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride
SMILESCC1(C)C=CC(NC(C)(C)C)C1.Cl
InChIInChI=1S/C11H21N.ClH/c1-10(2,3)12-9-6-7-11(4,5)8-9;/h6-7,9,12H,8H2,1-5H3;1H
InChIKeyWKQMASALMHIAME-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.15
Rot. Bonds1

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

N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride (PubChem CID 19787481) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride
PubChem CID19787481
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC NameN-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride
SMILESCC1(C)C=CC(NC(C)(C)C)C1.Cl
InChIInChI=1S/C11H21N.ClH/c1-10(2,3)12-9-6-7-11(4,5)8-9;/h6-7,9,12H,8H2,1-5H3;1H
InChIKeyWKQMASALMHIAME-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.15
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-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride?
The IUPAC name of N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride (CID 19787481) is N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride?
The canonical SMILES for N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride is CC1(C)C=CC(NC(C)(C)C)C1.Cl.
What is the InChIKey of N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride?
The InChIKey is WKQMASALMHIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-10(2,3)12-9-6-7-11(4,5)8-9;/h6-7,9,12H,8H2,1-5H3;1H.
What are the key properties of N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride?
N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 3.15, 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;hydrochloride is sourced from PubChem (CID 19787481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).