1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine

C18H24N2O — CID 123875744

IUPAC1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine
SMILESC=C(N1CCCc2ncccc21)C1(OCC(C)=CC)CC1
InChIInChI=1S/C18H24N2O/c1-4-14(2)13-21-18(9-10-18)15(3)20-12-6-7-16-17(20)8-5-11-19-16/h4-5,8,11H,3,6-7,9-10,12-13H2,1-2H3
InChIKeyFKHWPIMIIYKQEF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.86
Rot. Bonds5

About 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine

1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 123875744) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID123875744
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine
SMILESC=C(N1CCCc2ncccc21)C1(OCC(C)=CC)CC1
InChIInChI=1S/C18H24N2O/c1-4-14(2)13-21-18(9-10-18)15(3)20-12-6-7-16-17(20)8-5-11-19-16/h4-5,8,11H,3,6-7,9-10,12-13H2,1-2H3
InChIKeyFKHWPIMIIYKQEF-UHFFFAOYSA-N
XLogP3.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-((Morpholin-4-yl)methyl)pyridin-3-amine
CID 20724840
4-[6-(1-Methylpyrrolidin-2-yl)-3-pyridinyl]morpholine
CID 110264191
4-[6-(1-Methylpiperidin-3-yl)-3-pyridinyl]morpholine
CID 110264192
6-[2-(2-Methylmorpholin-4-yl)ethyl]pyridin-3-amine
CID 107339942
4-(3-Pyridin-2-ylpropyl)morpholine
CID 54349930
2-ethoxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 59550346
1-(2-Methoxyethyl)-4-(2-pyridin-2-ylethyl)piperazine
CID 53531681
1-(2-Methoxyethyl)-2-methyl-4-(2-pyridin-2-ylethyl)piperazine
CID 53606405
2-[(3-Ethoxypiperidin-1-yl)methyl]pyridine
CID 56794054
N,N-dimethyl-1-[(2S)-4-(2-pyridin-2-ylethyl)morpholin-2-yl]methanamine
CID 95332987
2,2-dimethyl-4-[(1S)-1-pyridin-2-ylethyl]morpholine
CID 95788081
2,4-Dimethyl-9-(2-pyridin-2-ylethyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane
CID 24758721

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine (CID 123875744) is 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine is C=C(N1CCCc2ncccc21)C1(OCC(C)=CC)CC1.
What is the InChIKey of 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is FKHWPIMIIYKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14(2)13-21-18(9-10-18)15(3)20-12-6-7-16-17(20)8-5-11-19-16/h4-5,8,11H,3,6-7,9-10,12-13H2,1-2H3.
What are the key properties of 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine?
1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 284.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 123875744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).