N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine

C18H22N4O2 — CID 150734561

IUPACN,N'-bis(4-nitrosophenyl)hexane-1,6-diamine
SMILESO=Nc1ccc(NCCCCCCNc2ccc(N=O)cc2)cc1
InChIInChI=1S/C18H22N4O2/c23-21-17-9-5-15(6-10-17)19-13-3-1-2-4-14-20-16-7-11-18(22-24)12-8-16/h5-12,19-20H,1-4,13-14H2
InChIKeyJSNZMFAZZUYRLM-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.57
Rot. Bonds11

About N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine

N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine (PubChem CID 150734561) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(4-nitrosophenyl)hexane-1,6-diamine
PubChem CID150734561
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN,N'-bis(4-nitrosophenyl)hexane-1,6-diamine
SMILESO=Nc1ccc(NCCCCCCNc2ccc(N=O)cc2)cc1
InChIInChI=1S/C18H22N4O2/c23-21-17-9-5-15(6-10-17)19-13-3-1-2-4-14-20-16-7-11-18(22-24)12-8-16/h5-12,19-20H,1-4,13-14H2
InChIKeyJSNZMFAZZUYRLM-UHFFFAOYSA-N
XLogP5.57
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(4-nitrosoanilino)hexanal
CID 89250350
N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline
CID 89290079
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915
4-[[4-(hexylamino)phenyl]diazenyl]benzenesulfonic acid
CID 100963290
4-[[4-(octadecylamino)phenyl]diazenyl]benzoic acid
CID 3321705
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
[4-[[4-(octadecylamino)phenyl]diazenyl]phenyl]arsonic acid
CID 3027213
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
CID 5051990
4-fluoro-N-heptylaniline
CID 43129312
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine (CID 150734561) is N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine is O=Nc1ccc(NCCCCCCNc2ccc(N=O)cc2)cc1.
What is the InChIKey of N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine?
The InChIKey is JSNZMFAZZUYRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-21-17-9-5-15(6-10-17)19-13-3-1-2-4-14-20-16-7-11-18(22-24)12-8-16/h5-12,19-20H,1-4,13-14H2.
What are the key properties of N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine?
N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine has a molecular weight of 326.40 g/mol, XLogP of 5.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-nitrosophenyl)hexane-1,6-diamine is sourced from PubChem (CID 150734561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).