[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium

C12H20N3O+ — CID 135608509

IUPAC[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
SMILESCCCN(CCC)c1ccc(N=[NH2+])c(O)c1
InChIInChI=1S/C12H19N3O/c1-3-7-15(8-4-2)10-5-6-11(14-13)12(16)9-10/h5-6,9,13,16H,3-4,7-8H2,1-2H3/p+1
InChIKeyFQQWDCGXCTXJJW-UHFFFAOYSA-O
MW222.31 g/mol
LogP1.86
Rot. Bonds6

About [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium

[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium (PubChem CID 135608509) has the molecular formula C12H20N3O+ and a molecular weight of 222.31 g/mol. Its IUPAC name is [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium.

Molecular Properties

Compound Name[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
PubChem CID135608509
Molecular FormulaC12H20N3O+
Molecular Weight222.31 g/mol
Exact Mass222.16
IUPAC Name[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
SMILESCCCN(CCC)c1ccc(N=[NH2+])c(O)c1
InChIInChI=1S/C12H19N3O/c1-3-7-15(8-4-2)10-5-6-11(14-13)12(16)9-10/h5-6,9,13,16H,3-4,7-8H2,1-2H3/p+1
InChIKeyFQQWDCGXCTXJJW-UHFFFAOYSA-O
XLogP1.86
TPSA61.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
CID 136648509
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
5-[bis(2-hydroxyethyl)amino]-2-nitrosophenol
CID 89139773
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821
[4-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)phenyl]iminoazanium
CID 66600248
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
3-[4-[3-[4-(dipropylamino)-2-hydroxyphenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-3-hydroxy-N-propylanilino]propyl-triethylazanium
CID 176885804
sodium 3-[4-[(5-bromo-2-pyridinyl)diazenyl]-3-hydroxy-N-propylanilino]propane-1-sulfonate
CID 135528952
CID 137221730
CID 137221730

Frequently Asked Questions

What is the IUPAC name of [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium?
The IUPAC name of [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium (CID 135608509) is [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium.
What is the SMILES notation for [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium?
The canonical SMILES for [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium is CCCN(CCC)c1ccc(N=[NH2+])c(O)c1.
What is the InChIKey of [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium?
The InChIKey is FQQWDCGXCTXJJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19N3O/c1-3-7-15(8-4-2)10-5-6-11(14-13)12(16)9-10/h5-6,9,13,16H,3-4,7-8H2,1-2H3/p+1.
What are the key properties of [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium?
[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium has a molecular weight of 222.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dipropylamino)-2-hydroxyphenyl]iminoazanium is sourced from PubChem (CID 135608509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).