(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine

C18H24FNO2 — CID 139492259

IUPAC(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine
SMILESCCCC12CCCCC(Cc3c(F)cc(OC)cc31)/C2=N/O
InChIInChI=1S/C18H24FNO2/c1-3-7-18-8-5-4-6-12(17(18)20-21)9-14-15(18)10-13(22-2)11-16(14)19/h10-12,21H,3-9H2,1-2H3/b20-17-
InChIKeyZDDKTASTOZRQRD-JZJYNLBNSA-N
MW305.39 g/mol
LogP4.45
Rot. Bonds3

About (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine

(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine (PubChem CID 139492259) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine
PubChem CID139492259
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine
SMILESCCCC12CCCCC(Cc3c(F)cc(OC)cc31)/C2=N/O
InChIInChI=1S/C18H24FNO2/c1-3-7-18-8-5-4-6-12(17(18)20-21)9-14-15(18)10-13(22-2)11-16(14)19/h10-12,21H,3-9H2,1-2H3/b20-17-
InChIKeyZDDKTASTOZRQRD-JZJYNLBNSA-N
XLogP4.45
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine
CID 139492342
(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine
CID 139492341
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
CID 103395692
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 146360843
(15-amino-6-fluoro-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl) octanoate
CID 155151036
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
6-bromo-2-(3-methoxyphenyl)-2-propylcyclohexan-1-one
CID 67096197
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine (CID 139492259) is (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine is CCCC12CCCCC(Cc3c(F)cc(OC)cc31)/C2=N/O.
What is the InChIKey of (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine?
The InChIKey is ZDDKTASTOZRQRD-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-3-7-18-8-5-4-6-12(17(18)20-21)9-14-15(18)10-13(22-2)11-16(14)19/h10-12,21H,3-9H2,1-2H3/b20-17-.
What are the key properties of (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine?
(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine has a molecular weight of 305.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine is sourced from PubChem (CID 139492259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).