1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine

C19H24N2O2 — CID 98137043

IUPAC1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/CC23CCC4C[C@@H](C[C@H](C4)C2)C3)cc1
InChIInChI=1S/C19H24N2O2/c22-21(23)18-3-1-14(2-4-18)12-20-13-19-6-5-15-7-16(10-19)9-17(8-15)11-19/h1-4,12,15-17H,5-11,13H2/b20-12+/t15?,16-,17-,19?/m0/s1
InChIKeyBVQAVWXDZWXYQC-HJYBFWLZSA-N
MW312.41 g/mol
LogP4.62
Rot. Bonds4

About 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine

1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine (PubChem CID 98137043) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine
PubChem CID98137043
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/CC23CCC4C[C@@H](C[C@H](C4)C2)C3)cc1
InChIInChI=1S/C19H24N2O2/c22-21(23)18-3-1-14(2-4-18)12-20-13-19-6-5-15-7-16(10-19)9-17(8-15)11-19/h1-4,12,15-17H,5-11,13H2/b20-12+/t15?,16-,17-,19?/m0/s1
InChIKeyBVQAVWXDZWXYQC-HJYBFWLZSA-N
XLogP4.62
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantylmethyliminomethyl)-4-nitrophenol
CID 3990801
(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6990543
N'-[(E)-(4-nitrophenyl)methylideneamino]adamantane-1-carboximidamide
CID 56693486
1-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)methanimine
CID 59334459
1-(1-adamantyl)-3-[(4-nitrophenyl)methylideneamino]thiourea
CID 4642225
(Z,1R,4R)-1,7,7-trimethyl-N-[(Z)-(4-nitrophenyl)methylideneamino]bicyclo[2.2.1]heptan-2-imine
CID 9113913
N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine
CID 15999229
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
1-adamantyl-[(4-nitrophenyl)methyl]azanium
CID 7302684
2-[[(4-nitrophenyl)methylideneamino]methyl]phenol
CID 24749899
2-bromo-6-[[(5R,7R)-3-(4-methylphenyl)-1-adamantyl]methyliminomethyl]-4-nitrophenol
CID 137148270
2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine (CID 98137043) is 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine is O=[N+]([O-])c1ccc(/C=N/CC23CCC4C[C@@H](C[C@H](C4)C2)C3)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine?
The InChIKey is BVQAVWXDZWXYQC-HJYBFWLZSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-21(23)18-3-1-14(2-4-18)12-20-13-19-6-5-15-7-16(10-19)9-17(8-15)11-19/h1-4,12,15-17H,5-11,13H2/b20-12+/t15?,16-,17-,19?/m0/s1.
What are the key properties of 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine?
1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine has a molecular weight of 312.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methyl]methanimine is sourced from PubChem (CID 98137043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).