(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine

C18H25NO3 — CID 139492341

IUPAC(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine
SMILESCOc1cc2c(cc1OC)C1(C)CCCCCC(C2)/C1=N\O
InChIInChI=1S/C18H25NO3/c1-18-8-6-4-5-7-12(17(18)19-20)9-13-10-15(21-2)16(22-3)11-14(13)18/h10-12,20H,4-9H2,1-3H3/b19-17+
InChIKeyJLYXZJRGVXXOKW-HTXNQAPBSA-N
MW303.40 g/mol
LogP3.93
Rot. Bonds2

About (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine

(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine (PubChem CID 139492341) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine
PubChem CID139492341
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine
SMILESCOc1cc2c(cc1OC)C1(C)CCCCCC(C2)/C1=N\O
InChIInChI=1S/C18H25NO3/c1-18-8-6-4-5-7-12(17(18)19-20)9-13-10-15(21-2)16(22-3)11-14(13)18/h10-12,20H,4-9H2,1-3H3/b19-17+
InChIKeyJLYXZJRGVXXOKW-HTXNQAPBSA-N
XLogP3.93
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117436622
1-(5-cyclohexyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117464165
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
CID 117402785
(NZ)-N-(6-fluoro-4-methoxy-1-propyl-14-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienylidene)hydroxylamine
CID 139492259
(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 13162191
(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 15870443
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
(1R,9R,10R)-5-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
CID 54250759
[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
CID 117485715
4-cyclopentyl-2-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 117459837
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500
6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]
CID 6921066

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine (CID 139492341) is (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine is COc1cc2c(cc1OC)C1(C)CCCCCC(C2)/C1=N\O.
What is the InChIKey of (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine?
The InChIKey is JLYXZJRGVXXOKW-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18-8-6-4-5-7-12(17(18)19-20)9-13-10-15(21-2)16(22-3)11-14(13)18/h10-12,20H,4-9H2,1-3H3/b19-17+.
What are the key properties of (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine?
(NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine has a molecular weight of 303.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4,5-dimethoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2,4,6-trienylidene)hydroxylamine is sourced from PubChem (CID 139492341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).