(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine

C10H18N2 — CID 23137632

IUPAC(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine
SMILESC=CC1CN2CCC1CC2CN
InChIInChI=1S/C10H18N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h2,8-10H,1,3-7,11H2
InChIKeyZDMOUIRMMCULSB-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.84
Rot. Bonds2

About (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine

(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine (PubChem CID 23137632) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine
PubChem CID23137632
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine
SMILESC=CC1CN2CCC1CC2CN
InChIInChI=1S/C10H18N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h2,8-10H,1,3-7,11H2
InChIKeyZDMOUIRMMCULSB-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.84
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

5-Ethenyl-2-methyl-1-azabicyclo[2.2.2]octane
CID 68023625
[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 59129891
[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 59129897
5-Ethenyl-2-methyl-1-azoniabicyclo[2.2.2]octane
CID 135037191
[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 11711092
[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 15907582
1-Prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-amine
CID 22086895
(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 28879589
(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-amine
CID 57762657
N-cyclohex-3-en-1-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 65700059
1-(1-Azabicyclo[2.2.2]octan-2-yl)prop-2-en-1-amine
CID 69816275
2-Prop-2-enyl-1-azabicyclo[2.2.2]octan-2-amine
CID 69816277

Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine?
The IUPAC name of (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine (CID 23137632) is (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine.
What is the SMILES notation for (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine?
The canonical SMILES for (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine is C=CC1CN2CCC1CC2CN.
What is the InChIKey of (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine?
The InChIKey is ZDMOUIRMMCULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h2,8-10H,1,3-7,11H2.
What are the key properties of (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine?
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine has a molecular weight of 166.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanamine is sourced from PubChem (CID 23137632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).