bicyclo[2.2.1]hept-1-ene;ethanamine

C9H17N — CID 67131332

IUPACbicyclo[2.2.1]hept-1-ene;ethanamine
SMILESC1=C2CCC(C1)C2.CCN
InChIInChI=1S/C7H10.C2H7N/c1-2-7-4-3-6(1)5-7;1-2-3/h1,7H,2-5H2;2-3H2,1H3
InChIKeyYNIKZPCMWABSOM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds

About bicyclo[2.2.1]hept-1-ene;ethanamine

bicyclo[2.2.1]hept-1-ene;ethanamine (PubChem CID 67131332) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-1-ene;ethanamine.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-1-ene;ethanamine
PubChem CID67131332
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namebicyclo[2.2.1]hept-1-ene;ethanamine
SMILESC1=C2CCC(C1)C2.CCN
InChIInChI=1S/C7H10.C2H7N/c1-2-7-4-3-6(1)5-7;1-2-3/h1,7H,2-5H2;2-3H2,1H3
InChIKeyYNIKZPCMWABSOM-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
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 bicyclo[2.2.1]hept-1-ene;ethanamine?
The IUPAC name of bicyclo[2.2.1]hept-1-ene;ethanamine (CID 67131332) is bicyclo[2.2.1]hept-1-ene;ethanamine.
What is the SMILES notation for bicyclo[2.2.1]hept-1-ene;ethanamine?
The canonical SMILES for bicyclo[2.2.1]hept-1-ene;ethanamine is C1=C2CCC(C1)C2.CCN.
What is the InChIKey of bicyclo[2.2.1]hept-1-ene;ethanamine?
The InChIKey is YNIKZPCMWABSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C2H7N/c1-2-7-4-3-6(1)5-7;1-2-3/h1,7H,2-5H2;2-3H2,1H3.
What are the key properties of bicyclo[2.2.1]hept-1-ene;ethanamine?
bicyclo[2.2.1]hept-1-ene;ethanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-1-ene;ethanamine is sourced from PubChem (CID 67131332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).