4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium

C17H33N4+ — CID 123356327

IUPAC4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium
SMILESCC=C/[N+](C)=C(\CC)C(CC)/N=N/C/C(C)=N/CCCC
InChIInChI=1S/C17H33N4/c1-7-11-12-18-15(5)14-19-20-16(9-3)17(10-4)21(6)13-8-2/h8,13,16H,7,9-12,14H2,1-6H3/q+1/b13-8?,18-15+,20-19+,21-17+
InChIKeyOQNKUXVOAZQDML-PGESCQJRSA-N
MW293.48 g/mol
LogP4.51
Rot. Bonds10

About 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium

4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium (PubChem CID 123356327) has the molecular formula C17H33N4+ and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium.

Molecular Properties

Compound Name4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium
PubChem CID123356327
Molecular FormulaC17H33N4+
Molecular Weight293.48 g/mol
Exact Mass293.27
IUPAC Name4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium
SMILESCC=C/[N+](C)=C(\CC)C(CC)/N=N/C/C(C)=N/CCCC
InChIInChI=1S/C17H33N4/c1-7-11-12-18-15(5)14-19-20-16(9-3)17(10-4)21(6)13-8-2/h8,13,16H,7,9-12,14H2,1-6H3/q+1/b13-8?,18-15+,20-19+,21-17+
InChIKeyOQNKUXVOAZQDML-PGESCQJRSA-N
XLogP4.51
TPSA40.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]imino-N,N-dimethylheptan-4-amine;ethane
CID 142371414

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium?
The IUPAC name of 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium (CID 123356327) is 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium.
What is the SMILES notation for 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium?
The canonical SMILES for 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium is CC=C/[N+](C)=C(\CC)C(CC)/N=N/C/C(C)=N/CCCC.
What is the InChIKey of 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium?
The InChIKey is OQNKUXVOAZQDML-PGESCQJRSA-N. The full InChI is InChI=1S/C17H33N4/c1-7-11-12-18-15(5)14-19-20-16(9-3)17(10-4)21(6)13-8-2/h8,13,16H,7,9-12,14H2,1-6H3/q+1/b13-8?,18-15+,20-19+,21-17+.
What are the key properties of 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium?
4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium has a molecular weight of 293.48 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyliminopropyldiazenyl)hexan-3-ylidene-methyl-prop-1-enylazanium is sourced from PubChem (CID 123356327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).