4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine

C10H18N2 — CID 77110405

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine
SMILESNCC=CCN1CC2CCC1C2
InChIInChI=1S/C10H18N2/c11-5-1-2-6-12-8-9-3-4-10(12)7-9/h1-2,9-10H,3-8,11H2
InChIKeyFQURESHSDIHYSN-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.99
Rot. Bonds3

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine (PubChem CID 77110405) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine
PubChem CID77110405
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine
SMILESNCC=CCN1CC2CCC1C2
InChIInChI=1S/C10H18N2/c11-5-1-2-6-12-8-9-3-4-10(12)7-9/h1-2,9-10H,3-8,11H2
InChIKeyFQURESHSDIHYSN-UHFFFAOYSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.99
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-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[2.2.1]heptane
CID 131241224
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane
CID 172608634
2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 130686554
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
CID 103152342
methyl 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethylbut-2-enoate
CID 77101210
[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine
CID 106906279
5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
CID 62228228
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoropropan-2-ol
CID 131005722

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine (CID 77110405) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine is NCC=CCN1CC2CCC1C2.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine?
The InChIKey is FQURESHSDIHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-5-1-2-6-12-8-9-3-4-10(12)7-9/h1-2,9-10H,3-8,11H2.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 77110405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).