(2,4-dibutoxyphenyl)iminoazanium

C14H23N2O2+ — CID 59821708

IUPAC(2,4-dibutoxyphenyl)iminoazanium
SMILESCCCCOc1ccc(N=[NH2+])c(OCCCC)c1
InChIInChI=1S/C14H22N2O2/c1-3-5-9-17-12-7-8-13(16-15)14(11-12)18-10-6-4-2/h7-8,11,15H,3-6,9-10H2,1-2H3/p+1
InChIKeyYMNUTOOHSOVQDD-UHFFFAOYSA-O
MW251.35 g/mol
LogP2.89
Rot. Bonds9

About (2,4-dibutoxyphenyl)iminoazanium

(2,4-dibutoxyphenyl)iminoazanium (PubChem CID 59821708) has the molecular formula C14H23N2O2+ and a molecular weight of 251.35 g/mol. Its IUPAC name is (2,4-dibutoxyphenyl)iminoazanium.

Molecular Properties

Compound Name(2,4-dibutoxyphenyl)iminoazanium
PubChem CID59821708
Molecular FormulaC14H23N2O2+
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name(2,4-dibutoxyphenyl)iminoazanium
SMILESCCCCOc1ccc(N=[NH2+])c(OCCCC)c1
InChIInChI=1S/C14H22N2O2/c1-3-5-9-17-12-7-8-13(16-15)14(11-12)18-10-6-4-2/h7-8,11,15H,3-6,9-10H2,1-2H3/p+1
InChIKeyYMNUTOOHSOVQDD-UHFFFAOYSA-O
XLogP2.89
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[2-[4-isocyanato-3-[2-[methyl(propyl)amino]ethoxy]phenoxy]ethyl]-N-methylpropan-1-amine
CID 58108723
(2-nonoxy-4-pyrrolidin-1-ylphenyl)iminoazanium
CID 20762669
[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium
CID 20729283
2,4,6-tributoxyaniline
CID 130240432
2-butoxy-1,4-diisocyanatobenzene
CID 139627431
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2,4-dipentoxyphenyl)methanol
CID 54794877
1,3,5-tributoxybenzene
CID 15933337
[2,5-didecoxy-4-(4-methylphenyl)phenyl]iminoazanium
CID 20729269
tris(2,4,6-tributoxyphenyl)sulfanium
CID 157331235
2-butoxy-6-methylnaphthalene
CID 58718847
4-octoxy-2-propoxyaniline
CID 63676334

Frequently Asked Questions

What is the IUPAC name of (2,4-dibutoxyphenyl)iminoazanium?
The IUPAC name of (2,4-dibutoxyphenyl)iminoazanium (CID 59821708) is (2,4-dibutoxyphenyl)iminoazanium.
What is the SMILES notation for (2,4-dibutoxyphenyl)iminoazanium?
The canonical SMILES for (2,4-dibutoxyphenyl)iminoazanium is CCCCOc1ccc(N=[NH2+])c(OCCCC)c1.
What is the InChIKey of (2,4-dibutoxyphenyl)iminoazanium?
The InChIKey is YMNUTOOHSOVQDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-9-17-12-7-8-13(16-15)14(11-12)18-10-6-4-2/h7-8,11,15H,3-6,9-10H2,1-2H3/p+1.
What are the key properties of (2,4-dibutoxyphenyl)iminoazanium?
(2,4-dibutoxyphenyl)iminoazanium has a molecular weight of 251.35 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibutoxyphenyl)iminoazanium is sourced from PubChem (CID 59821708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).