N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C15H24N4 — CID 106552136

IUPACN-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCn1ccnc1N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4/c1-3-8-18-9-7-16-15(18)19(4-2)14-10-12-5-6-13(11-14)17-12/h3,7,9,12-14,17H,1,4-6,8,10-11H2,2H3
InChIKeyIVKIBFDYUVSINL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106552136) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106552136
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCn1ccnc1N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4/c1-3-8-18-9-7-16-15(18)19(4-2)14-10-12-5-6-13(11-14)17-12/h3,7,9,12-14,17H,1,4-6,8,10-11H2,2H3
InChIKeyIVKIBFDYUVSINL-UHFFFAOYSA-N
XLogP2.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62138054
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106552193
N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106552097
N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106552113
N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106552189
N'-ethyl-N'-(1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106553972
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61493402
N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114600871
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
CID 107552429
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 106552136) is N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is C=CCn1ccnc1N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IVKIBFDYUVSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-8-18-9-7-16-15(18)19(4-2)14-10-12-5-6-13(11-14)17-12/h3,7,9,12-14,17H,1,4-6,8,10-11H2,2H3.
What are the key properties of N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106552136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).