N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine

C26H52N10 — CID 57233814

IUPACN-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine
SMILES[H]/N=N/C(CCCCCCCC/N=C(\C)CC)CC(CCCC(CC(C/N=C(\C)CC)/N=N/[H])/N=N/[H])/N=N/[H]
InChIInChI=1S/C26H52N10/c1-5-21(3)31-17-12-10-8-7-9-11-14-23(33-27)18-24(34-28)15-13-16-25(35-29)19-26(36-30)20-32-22(4)6-2/h23-30H,5-20H2,1-4H3/b31-21+,32-22+,33-27+,34-28+,35-29+,36-30+
InChIKeyASXMOPQSGPTOBO-IWFWEPESSA-N
MW504.77 g/mol
LogP9.01
Rot. Bonds25

About N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine

N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine (PubChem CID 57233814) has the molecular formula C26H52N10 and a molecular weight of 504.77 g/mol. Its IUPAC name is N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine.

Molecular Properties

Compound NameN-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine
PubChem CID57233814
Molecular FormulaC26H52N10
Molecular Weight504.77 g/mol
Exact Mass504.44
IUPAC NameN-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine
SMILES[H]/N=N/C(CCCCCCCC/N=C(\C)CC)CC(CCCC(CC(C/N=C(\C)CC)/N=N/[H])/N=N/[H])/N=N/[H]
InChIInChI=1S/C26H52N10/c1-5-21(3)31-17-12-10-8-7-9-11-14-23(33-27)18-24(34-28)15-13-16-25(35-29)19-26(36-30)20-32-22(4)6-2/h23-30H,5-20H2,1-4H3/b31-21+,32-22+,33-27+,34-28+,35-29+,36-30+
InChIKeyASXMOPQSGPTOBO-IWFWEPESSA-N
XLogP9.01
TPSA169.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.77
LogP ≤ 59.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine with MolForge

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Related Compounds

[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene
CID 174274162
nonan-5-yldiazene
CID 123930065
[3-diazenyl-1-(2-diazenylethyl)butyl]diazene
CID 175358831
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
(7S)-1,7-diisocyanatoundecane
CID 89383286
7-ethyl-1-isocyanato-11-(isocyanatomethyl)tridecane
CID 150454558
acetyl 4,9-diisocyanatononanoate
CID 174681384
14-amino-5-diazenyl-3-iminotetradecane-1-thiol
CID 134325414
(1,7-didiazenyl-10-triethoxysilyldecan-4-yl)diazene
CID 175003228
N'-hexylpropanimidamide
CID 62048653
N-(3-dipropoxysilylpropyl)butan-2-imine
CID 123900249

Frequently Asked Questions

What is the IUPAC name of N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine?
The IUPAC name of N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine (CID 57233814) is N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine.
What is the SMILES notation for N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine?
The canonical SMILES for N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine is [H]/N=N/C(CCCCCCCC/N=C(\C)CC)CC(CCCC(CC(C/N=C(\C)CC)/N=N/[H])/N=N/[H])/N=N/[H].
What is the InChIKey of N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine?
The InChIKey is ASXMOPQSGPTOBO-IWFWEPESSA-N. The full InChI is InChI=1S/C26H52N10/c1-5-21(3)31-17-12-10-8-7-9-11-14-23(33-27)18-24(34-28)15-13-16-25(35-29)19-26(36-30)20-32-22(4)6-2/h23-30H,5-20H2,1-4H3/b31-21+,32-22+,33-27+,34-28+,35-29+,36-30+.
What are the key properties of N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine?
N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine has a molecular weight of 504.77 g/mol, XLogP of 9.01, 25 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine is sourced from PubChem (CID 57233814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).