2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine

C8H14N2 — CID 535757

IUPAC2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine
SMILESNCCN1CC2C=CC1C2
InChIInChI=1S/C8H14N2/c9-3-4-10-6-7-1-2-8(10)5-7/h1-2,7-8H,3-6,9H2
InChIKeyLMMHCYXULJUMBC-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.21
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine

2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine (PubChem CID 535757) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine
PubChem CID535757
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine
SMILESNCCN1CC2C=CC1C2
InChIInChI=1S/C8H14N2/c9-3-4-10-6-7-1-2-8(10)5-7/h1-2,7-8H,3-6,9H2
InChIKeyLMMHCYXULJUMBC-UHFFFAOYSA-N
XLogP0.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Azabicyclo[2.2.1]hept-5-ene
CID 138805
2-Azabicyclo(2.2.1)hept-5-ene hydrochloride
CID 12729804
(1R,4S)-2-Azabicyclo[2.2.1]hept-5-ene hydrochloride
CID 71743646
N-allyl-2-azanorborn-5-ene
CID 19854919
4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine
CID 130863537
4-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine
CID 164657917
rel-(1S,4R)-2-Azabicyclo[2.2.1]hept-5-ene hydrochloride
CID 71743647
2-Azabicyclo[2.2.1]hept-5-ene, 2-(1-methylethyl)-
CID 12163226
2-Azabicyclo[2.2.1]hept-5-ene-2-acetonitrile
CID 19101380
2-Propyl-2-azabicyclo[2.2.1]hept-5-ene
CID 19854921
2-Ethyl-2-azabicyclo[2.2.1]hept-5-ene
CID 19854922
1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
CID 20580866

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine (CID 535757) is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine is NCCN1CC2C=CC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine?
The InChIKey is LMMHCYXULJUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-3-4-10-6-7-1-2-8(10)5-7/h1-2,7-8H,3-6,9H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine?
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanamine is sourced from PubChem (CID 535757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).