2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene

C10H17N — CID 59691645

IUPAC2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene
SMILESCC(C)CN1CC2C=CC1C2
InChIInChI=1S/C10H17N/c1-8(2)6-11-7-9-3-4-10(11)5-9/h3-4,8-10H,5-7H2,1-2H3
InChIKeyDXVCFVRCJVIXFB-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene

2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 59691645) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID59691645
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene
SMILESCC(C)CN1CC2C=CC1C2
InChIInChI=1S/C10H17N/c1-8(2)6-11-7-9-3-4-10(11)5-9/h3-4,8-10H,5-7H2,1-2H3
InChIKeyDXVCFVRCJVIXFB-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene (CID 59691645) is 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene is CC(C)CN1CC2C=CC1C2.
What is the InChIKey of 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is DXVCFVRCJVIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)6-11-7-9-3-4-10(11)5-9/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene?
2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 151.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 59691645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).