2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine

C21H26N2O4 — CID 102407656

IUPAC2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine
SMILESCOc1cccc(OC)c1/N=C(\C)C/C(C)=N/c1c(OC)cccc1OC
InChIInChI=1S/C21H26N2O4/c1-14(22-20-16(24-3)9-7-10-17(20)25-4)13-15(2)23-21-18(26-5)11-8-12-19(21)27-6/h7-12H,13H2,1-6H3/b22-14+,23-15+
InChIKeyKEXAESOEVINUFO-HOFJZWJUSA-N
MW370.45 g/mol
LogP5.00
Rot. Bonds8

About 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine

2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine (PubChem CID 102407656) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine
PubChem CID102407656
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine
SMILESCOc1cccc(OC)c1/N=C(\C)C/C(C)=N/c1c(OC)cccc1OC
InChIInChI=1S/C21H26N2O4/c1-14(22-20-16(24-3)9-7-10-17(20)25-4)13-15(2)23-21-18(26-5)11-8-12-19(21)27-6/h7-12H,13H2,1-6H3/b22-14+,23-15+
InChIKeyKEXAESOEVINUFO-HOFJZWJUSA-N
XLogP5.00
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide
CID 134542057
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770
(NZ)-N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
N'-(2,6-dimethoxyphenyl)methanediimine
CID 150583990
lithium N-(2-methoxy-6-sulfinophenyl)ethanimidate
CID 101304038
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
bismuth tris(2,6-dimethoxybenzenethiolate)
CID 15973660
2,6-dimethoxybenzohydrazide
CID 2806104
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
CID 119094700
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
N'-(2-fluoro-3-methoxyphenyl)ethanimidamide
CID 164652328

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine (CID 102407656) is 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine is COc1cccc(OC)c1/N=C(\C)C/C(C)=N/c1c(OC)cccc1OC.
What is the InChIKey of 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine?
The InChIKey is KEXAESOEVINUFO-HOFJZWJUSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(22-20-16(24-3)9-7-10-17(20)25-4)13-15(2)23-21-18(26-5)11-8-12-19(21)27-6/h7-12H,13H2,1-6H3/b22-14+,23-15+.
What are the key properties of 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine?
2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine has a molecular weight of 370.45 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine is sourced from PubChem (CID 102407656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).