(NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine

C25H31NO — CID 59065249

IUPAC(NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine
SMILESC=CCc1ccc(/C=N/O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H31NO/c1-7-8-19-10-9-18(16-26-27)14-21(19)20-15-23-22(13-17(20)2)24(3,4)11-12-25(23,5)6/h7,9-10,13-16,27H,1,8,11-12H2,2-6H3/b26-16+
InChIKeyCIXRSGDYGQATEA-WGOQTCKBSA-N
MW361.53 g/mol
LogP6.55
Rot. Bonds4

About (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine

(NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine (PubChem CID 59065249) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine
PubChem CID59065249
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name(NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine
SMILESC=CCc1ccc(/C=N/O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H31NO/c1-7-8-19-10-9-18(16-26-27)14-21(19)20-15-23-22(13-17(20)2)24(3,4)11-12-25(23,5)6/h7,9-10,13-16,27H,1,8,11-12H2,2-6H3/b26-16+
InChIKeyCIXRSGDYGQATEA-WGOQTCKBSA-N
XLogP6.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(NE)-N-[(3,4-diphenylphenyl)methylidene]hydroxylamine
CID 11780703
N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
CID 2747574
2-Naphthaldehyde oxime
CID 9563142
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methylidene]hydroxylamine
CID 142575088
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-(3-fluorophenyl)methanimine
CID 118717332
(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 5354493
(e)-2-(4-(t-Butyl)phenyl)cyclopent-1-ene-1-carbaldehyde oxime
CID 142575074
(NE)-N-[[4-[3-[4-[(E)-hydroxyiminomethyl]phenyl]phenyl]phenyl]methylidene]hydroxylamine
CID 44307817
9-Anthracenecarboxaldehyde, oxime
CID 86646
2,4,6-Trimethylbenzaldehyde oxime
CID 5373878
9-Anthraldehyde, oxime
CID 5375740
(NE)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 9561058

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine (CID 59065249) is (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine is C=CCc1ccc(/C=N/O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine?
The InChIKey is CIXRSGDYGQATEA-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H31NO/c1-7-8-19-10-9-18(16-26-27)14-21(19)20-15-23-22(13-17(20)2)24(3,4)11-12-25(23,5)6/h7,9-10,13-16,27H,1,8,11-12H2,2-6H3/b26-16+.
What are the key properties of (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine?
(NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine has a molecular weight of 361.53 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-prop-2-enylphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 59065249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).