ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene

C30H42N2O3 — CID 143845036

IUPACethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene
SMILESC/C(=N\c1ccncc1C)c1cccc(C)c1.C=O.C=O.CC.CC(C)=O.Cc1ccc(C)cc1
InChIInChI=1S/C15H16N2.C8H10.C3H6O.C2H6.2CH2O/c1-11-5-4-6-14(9-11)13(3)17-15-7-8-16-10-12(15)2;1-7-3-5-8(2)6-4-7;1-3(2)4;3*1-2/h4-10H,1-3H3;3-6H,1-2H3;1-2H3;1-2H3;2*1H2/b17-13+;;;;;
InChIKeyFTAXRNJLAUMFCK-WHSVYILESA-N
MW478.68 g/mol
LogP7.39
Rot. Bonds2

About ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene

ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene (PubChem CID 143845036) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene.

Molecular Properties

Compound Nameethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene
PubChem CID143845036
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC Nameethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene
SMILESC/C(=N\c1ccncc1C)c1cccc(C)c1.C=O.C=O.CC.CC(C)=O.Cc1ccc(C)cc1
InChIInChI=1S/C15H16N2.C8H10.C3H6O.C2H6.2CH2O/c1-11-5-4-6-14(9-11)13(3)17-15-7-8-16-10-12(15)2;1-7-3-5-8(2)6-4-7;1-3(2)4;3*1-2/h4-10H,1-3H3;3-6H,1-2H3;1-2H3;1-2H3;2*1H2/b17-13+;;;;;
InChIKeyFTAXRNJLAUMFCK-WHSVYILESA-N
XLogP7.39
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine
CID 143844840
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
(3-methylbenzoyl)azanium
CID 153183849
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-methylbenzenecarboselenoic Se-acid
CID 166513879
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
CID 66624966
bis(3-methylphenyl)methanone
CID 17848
bis(3-methyl-4-pyridinyl)diazene
CID 13430055
1-diazo-1-(3-methylphenyl)propan-2-one
CID 125480722

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene?
The IUPAC name of ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene (CID 143845036) is ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene.
What is the SMILES notation for ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene?
The canonical SMILES for ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene is C/C(=N\c1ccncc1C)c1cccc(C)c1.C=O.C=O.CC.CC(C)=O.Cc1ccc(C)cc1.
What is the InChIKey of ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene?
The InChIKey is FTAXRNJLAUMFCK-WHSVYILESA-N. The full InChI is InChI=1S/C15H16N2.C8H10.C3H6O.C2H6.2CH2O/c1-11-5-4-6-14(9-11)13(3)17-15-7-8-16-10-12(15)2;1-7-3-5-8(2)6-4-7;1-3(2)4;3*1-2/h4-10H,1-3H3;3-6H,1-2H3;1-2H3;1-2H3;2*1H2/b17-13+;;;;;.
What are the key properties of ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene?
ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene has a molecular weight of 478.68 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene is sourced from PubChem (CID 143845036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).