(3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine

C22H37N3 — CID 172962172

IUPAC(3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine
SMILESCCCCc1cc(CCCC)c(/N=C(C)/C(C)=N/N)c(CCCC)c1
InChIInChI=1S/C22H37N3/c1-6-9-12-19-15-20(13-10-7-2)22(21(16-19)14-11-8-3)24-17(4)18(5)25-23/h15-16H,6-14,23H2,1-5H3/b24-17+,25-18+
InChIKeyDZCXGDMHFZCHHM-WZGDJCGDSA-N
MW343.56 g/mol
LogP6.14
Rot. Bonds11

About (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine

(3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine (PubChem CID 172962172) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine.

Molecular Properties

Compound Name(3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine
PubChem CID172962172
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name(3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine
SMILESCCCCc1cc(CCCC)c(/N=C(C)/C(C)=N/N)c(CCCC)c1
InChIInChI=1S/C22H37N3/c1-6-9-12-19-15-20(13-10-7-2)22(21(16-19)14-11-8-3)24-17(4)18(5)25-23/h15-16H,6-14,23H2,1-5H3/b24-17+,25-18+
InChIKeyDZCXGDMHFZCHHM-WZGDJCGDSA-N
XLogP6.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,4,6-tributylphenyl)methanol
CID 21099541
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
4-butyl-2,6-didodecylphenol
CID 66619638
3,5-dibutyl-2-methylphenol
CID 10285910
2-butyl-4-pentyl-6-propylphenol
CID 66878895
1-(diaminomethylidene)-2-(2,6-dibromo-4-butylphenyl)guanidine
CID 168601655
2,4,6-triheptylphenol
CID 139692303
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
7-butyl-5-propylnaphthalene-2,3-diol
CID 21033341
2-butyl-6-ethyl-4-pentylphenol
CID 66879170

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine?
The IUPAC name of (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine (CID 172962172) is (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine.
What is the SMILES notation for (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine?
The canonical SMILES for (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine is CCCCc1cc(CCCC)c(/N=C(C)/C(C)=N/N)c(CCCC)c1.
What is the InChIKey of (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine?
The InChIKey is DZCXGDMHFZCHHM-WZGDJCGDSA-N. The full InChI is InChI=1S/C22H37N3/c1-6-9-12-19-15-20(13-10-7-2)22(21(16-19)14-11-8-3)24-17(4)18(5)25-23/h15-16H,6-14,23H2,1-5H3/b24-17+,25-18+.
What are the key properties of (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine?
(3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine has a molecular weight of 343.56 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydrazinylidene-N-(2,4,6-tributylphenyl)butan-2-imine is sourced from PubChem (CID 172962172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).