N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C14H24N2 — CID 43201367

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1=CCC(CNC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H24N2/c1-2-4-12(5-3-1)10-15-14-11-16-8-6-13(14)7-9-16/h1-2,12-15H,3-11H2
InChIKeyXVQOQVXHRYZUEJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.03
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43201367) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43201367
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1=CCC(CNC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H24N2/c1-2-4-12(5-3-1)10-15-14-11-16-8-6-13(14)7-9-16/h1-2,12-15H,3-11H2
InChIKeyXVQOQVXHRYZUEJ-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43201367) is N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is C1=CCC(CNC2CN3CCC2CC3)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XVQOQVXHRYZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-4-12(5-3-1)10-15-14-11-16-8-6-13(14)7-9-16/h1-2,12-15H,3-11H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43201367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).