1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol

C28H28N2O2 — CID 136675821

IUPAC1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
SMILESCC(C)(/N=C/c1c(O)ccc2ccccc12)C(C)(C)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H28N2O2/c1-27(2,29-17-23-21-11-7-5-9-19(21)13-15-25(23)31)28(3,4)30-18-24-22-12-8-6-10-20(22)14-16-26(24)32/h5-18,31-32H,1-4H3/b29-17+,30-18+
InChIKeyKBMIPMXYRWLYFI-YAGSLNJISA-N
MW424.54 g/mol
LogP6.50
Rot. Bonds5

About 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol

1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol (PubChem CID 136675821) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
PubChem CID136675821
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
SMILESCC(C)(/N=C/c1c(O)ccc2ccccc12)C(C)(C)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H28N2O2/c1-27(2,29-17-23-21-11-7-5-9-19(21)13-15-25(23)31)28(3,4)30-18-24-22-12-8-6-10-20(22)14-16-26(24)32/h5-18,31-32H,1-4H3/b29-17+,30-18+
InChIKeyKBMIPMXYRWLYFI-YAGSLNJISA-N
XLogP6.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol
CID 5246475
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 2692498
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol (CID 136675821) is 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol is CC(C)(/N=C/c1c(O)ccc2ccccc12)C(C)(C)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol?
The InChIKey is KBMIPMXYRWLYFI-YAGSLNJISA-N. The full InChI is InChI=1S/C28H28N2O2/c1-27(2,29-17-23-21-11-7-5-9-19(21)13-15-25(23)31)28(3,4)30-18-24-22-12-8-6-10-20(22)14-16-26(24)32/h5-18,31-32H,1-4H3/b29-17+,30-18+.
What are the key properties of 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol?
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol has a molecular weight of 424.54 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136675821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).