1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine

C76H84N16O4 — CID 159226580

IUPAC1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine
SMILESC(=N/C1CCCCC1/N=C/c1ccc(N2CCCC2)cc1)\c1ccc(N2CCCC2)cc1.C(=N/C1CCCCC1/N=C/c1ccccn1)\c1ccccn1.C(=N/CC/N=C/c1ccccn1)\c1ccccn1.O=[N+]([O-])c1ccccc1/C=N/CC/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C28H36N4.C18H20N4.C16H14N4O4.C14H14N4/c1-2-8-28(30-22-24-11-15-26(16-12-24)32-19-5-6-20-32)27(7-1)29-21-23-9-13-25(14-10-23)31-17-3-4-18-31;1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;21-19(22)15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20(23)24;1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h9-16,21-22,27-28H,1-8,17-20H2;3-8,11-14,17-18H,1-2,9-10H2;1-8,11-12H,9-10H2;1-8,11-12H,9-10H2/b29-21+,30-22+;21-13+,22-14+;17-11+,18-12+;15-11+,16-12+
InChIKeyKSJAOQDMUKDUBJ-OHIGRIAESA-N
MW1285.62 g/mol
LogP14.12
Rot. Bonds22

About 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine

1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine (PubChem CID 159226580) has the molecular formula C76H84N16O4 and a molecular weight of 1285.62 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine
PubChem CID159226580
Molecular FormulaC76H84N16O4
Molecular Weight1285.62 g/mol
Exact Mass1284.69
IUPAC Name1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine
SMILESC(=N/C1CCCCC1/N=C/c1ccc(N2CCCC2)cc1)\c1ccc(N2CCCC2)cc1.C(=N/C1CCCCC1/N=C/c1ccccn1)\c1ccccn1.C(=N/CC/N=C/c1ccccn1)\c1ccccn1.O=[N+]([O-])c1ccccc1/C=N/CC/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C28H36N4.C18H20N4.C16H14N4O4.C14H14N4/c1-2-8-28(30-22-24-11-15-26(16-12-24)32-19-5-6-20-32)27(7-1)29-21-23-9-13-25(14-10-23)31-17-3-4-18-31;1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;21-19(22)15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20(23)24;1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h9-16,21-22,27-28H,1-8,17-20H2;3-8,11-14,17-18H,1-2,9-10H2;1-8,11-12H,9-10H2;1-8,11-12H,9-10H2/b29-21+,30-22+;21-13+,22-14+;17-11+,18-12+;15-11+,16-12+
InChIKeyKSJAOQDMUKDUBJ-OHIGRIAESA-N
XLogP14.12
TPSA243.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.62
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine with MolForge

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Related Compounds

trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
CID 71072571
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
CID 25268897
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
CID 133349539
2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
CID 122040340
N-[[(1R,2R)-2-[(4-nitrophenyl)methylideneamino]cyclohexyl]methyl]aniline
CID 11067706
2-[(3-nitro-2-pyridinyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 133277273
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126074341
2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]benzaldehyde
CID 87381804

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine?
The IUPAC name of 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine (CID 159226580) is 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine is C(=N/C1CCCCC1/N=C/c1ccc(N2CCCC2)cc1)\c1ccc(N2CCCC2)cc1.C(=N/C1CCCCC1/N=C/c1ccccn1)\c1ccccn1.C(=N/CC/N=C/c1ccccn1)\c1ccccn1.O=[N+]([O-])c1ccccc1/C=N/CC/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine?
The InChIKey is KSJAOQDMUKDUBJ-OHIGRIAESA-N. The full InChI is InChI=1S/C28H36N4.C18H20N4.C16H14N4O4.C14H14N4/c1-2-8-28(30-22-24-11-15-26(16-12-24)32-19-5-6-20-32)27(7-1)29-21-23-9-13-25(14-10-23)31-17-3-4-18-31;1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;21-19(22)15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20(23)24;1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h9-16,21-22,27-28H,1-8,17-20H2;3-8,11-14,17-18H,1-2,9-10H2;1-8,11-12H,9-10H2;1-8,11-12H,9-10H2/b29-21+,30-22+;21-13+,22-14+;17-11+,18-12+;15-11+,16-12+.
What are the key properties of 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine?
1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine has a molecular weight of 1285.62 g/mol, XLogP of 14.12, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 159226580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).