1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine

C12H21N — CID 19973776

IUPAC1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)C1CC2=CCC1C2
InChIInChI=1S/C12H21N/c1-12(2,3)11(13)10-7-8-4-5-9(10)6-8/h4,9-11H,5-7,13H2,1-3H3
InChIKeyCXUIXLMPMTVCCK-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.72
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine

1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine (PubChem CID 19973776) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine
PubChem CID19973776
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)C1CC2=CCC1C2
InChIInChI=1S/C12H21N/c1-12(2,3)11(13)10-7-8-4-5-9(10)6-8/h4,9-11H,5-7,13H2,1-3H3
InChIKeyCXUIXLMPMTVCCK-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.72
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 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine (CID 19973776) is 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)C1CC2=CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine?
The InChIKey is CXUIXLMPMTVCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2,3)11(13)10-7-8-4-5-9(10)6-8/h4,9-11H,5-7,13H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine?
1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-4-enyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 19973776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).