1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine

C12H21N — CID 174191043

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine
SMILESCCNC(C)CC1CC2C=CC1C2
InChIInChI=1S/C12H21N/c1-3-13-9(2)6-12-8-10-4-5-11(12)7-10/h4-5,9-13H,3,6-8H2,1-2H3
InChIKeyLZGDETMXEWWBTP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine (PubChem CID 174191043) 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-5-enyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine
PubChem CID174191043
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine
SMILESCCNC(C)CC1CC2C=CC1C2
InChIInChI=1S/C12H21N/c1-3-13-9(2)6-12-8-10-4-5-11(12)7-10/h4-5,9-13H,3,6-8H2,1-2H3
InChIKeyLZGDETMXEWWBTP-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.59
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-5-enyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine (CID 174191043) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine is CCNC(C)CC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine?
The InChIKey is LZGDETMXEWWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-13-9(2)6-12-8-10-4-5-11(12)7-10/h4-5,9-13H,3,6-8H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylpropan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.59, 4 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-5-enyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 174191043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).