N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

C14H24N2 — CID 106169922

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1=C(CCNC2CN3CCC2CC3)CCC1
InChIInChI=1S/C14H24N2/c1-2-4-12(3-1)5-8-15-14-11-16-9-6-13(14)7-10-16/h3,13-15H,1-2,4-11H2
InChIKeyYDZYXUCOBAIJMX-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.17
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 106169922) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID106169922
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1=C(CCNC2CN3CCC2CC3)CCC1
InChIInChI=1S/C14H24N2/c1-2-4-12(3-1)5-8-15-14-11-16-9-6-13(14)7-10-16/h3,13-15H,1-2,4-11H2
InChIKeyYDZYXUCOBAIJMX-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.17
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-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 106170204
N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
N-[2-(3-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 62314261
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
N-[2-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 79763308
N-[2-(cyclopenten-1-yl)ethyl]adamantan-2-amine
CID 106170231
N-[2-(1,3-thiazol-4-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63830955

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 106169922) is N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine is C1=C(CCNC2CN3CCC2CC3)CCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is YDZYXUCOBAIJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-4-12(3-1)5-8-15-14-11-16-9-6-13(14)7-10-16/h3,13-15H,1-2,4-11H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 106169922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).