2,6-bis(4-nitrosoanilino)hexanal

C18H20N4O3 — CID 89250350

IUPAC2,6-bis(4-nitrosoanilino)hexanal
SMILESO=CC(CCCCNc1ccc(N=O)cc1)Nc1ccc(N=O)cc1
InChIInChI=1S/C18H20N4O3/c23-13-18(20-15-6-10-17(22-25)11-7-15)3-1-2-12-19-14-4-8-16(21-24)9-5-14/h4-11,13,18-20H,1-3,12H2
InChIKeyAQLRBMBRKHLBSU-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.74
Rot. Bonds11

About 2,6-bis(4-nitrosoanilino)hexanal

2,6-bis(4-nitrosoanilino)hexanal (PubChem CID 89250350) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,6-bis(4-nitrosoanilino)hexanal.

Molecular Properties

Compound Name2,6-bis(4-nitrosoanilino)hexanal
PubChem CID89250350
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2,6-bis(4-nitrosoanilino)hexanal
SMILESO=CC(CCCCNc1ccc(N=O)cc1)Nc1ccc(N=O)cc1
InChIInChI=1S/C18H20N4O3/c23-13-18(20-15-6-10-17(22-25)11-7-15)3-1-2-12-19-14-4-8-16(21-24)9-5-14/h4-11,13,18-20H,1-3,12H2
InChIKeyAQLRBMBRKHLBSU-UHFFFAOYSA-N
XLogP4.74
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine
CID 150734561
N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline
CID 89290079
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
5-(4-methylanilino)pentanal
CID 89217806
(2R)-2-(4-butoxyanilino)-4-methylsulfanylbutanal
CID 59830600
4-[7-(trifluoromethyl)undecylamino]benzaldehyde
CID 20549309
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
4-(nonadecylamino)benzaldehyde
CID 20556317
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915
4-(12-methyltridecylamino)benzoic acid
CID 21057297
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
acetyl 4-(15-methylhexadecylamino)benzoate
CID 21318768

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-nitrosoanilino)hexanal?
The IUPAC name of 2,6-bis(4-nitrosoanilino)hexanal (CID 89250350) is 2,6-bis(4-nitrosoanilino)hexanal.
What is the SMILES notation for 2,6-bis(4-nitrosoanilino)hexanal?
The canonical SMILES for 2,6-bis(4-nitrosoanilino)hexanal is O=CC(CCCCNc1ccc(N=O)cc1)Nc1ccc(N=O)cc1.
What is the InChIKey of 2,6-bis(4-nitrosoanilino)hexanal?
The InChIKey is AQLRBMBRKHLBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-13-18(20-15-6-10-17(22-25)11-7-15)3-1-2-12-19-14-4-8-16(21-24)9-5-14/h4-11,13,18-20H,1-3,12H2.
What are the key properties of 2,6-bis(4-nitrosoanilino)hexanal?
2,6-bis(4-nitrosoanilino)hexanal has a molecular weight of 340.38 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-nitrosoanilino)hexanal is sourced from PubChem (CID 89250350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).