6-(2,4-diaminoanilino)hexan-1-ol

C12H21N3O — CID 143590092

IUPAC6-(2,4-diaminoanilino)hexan-1-ol
SMILESNc1ccc(NCCCCCCO)c(N)c1
InChIInChI=1S/C12H21N3O/c13-10-5-6-12(11(14)9-10)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8,13-14H2
InChIKeyQUDSJQZBMPBAGV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds7

About 6-(2,4-diaminoanilino)hexan-1-ol

6-(2,4-diaminoanilino)hexan-1-ol (PubChem CID 143590092) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(2,4-diaminoanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,4-diaminoanilino)hexan-1-ol
PubChem CID143590092
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-(2,4-diaminoanilino)hexan-1-ol
SMILESNc1ccc(NCCCCCCO)c(N)c1
InChIInChI=1S/C12H21N3O/c13-10-5-6-12(11(14)9-10)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8,13-14H2
InChIKeyQUDSJQZBMPBAGV-UHFFFAOYSA-N
XLogP1.82
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917837
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
2-(2,4-diaminoanilino)ethyl-trimethylazanium
CID 90023471
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
benzene-1,4-diamine;hexane-1,6-diol
CID 139054112

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diaminoanilino)hexan-1-ol?
The IUPAC name of 6-(2,4-diaminoanilino)hexan-1-ol (CID 143590092) is 6-(2,4-diaminoanilino)hexan-1-ol.
What is the SMILES notation for 6-(2,4-diaminoanilino)hexan-1-ol?
The canonical SMILES for 6-(2,4-diaminoanilino)hexan-1-ol is Nc1ccc(NCCCCCCO)c(N)c1.
What is the InChIKey of 6-(2,4-diaminoanilino)hexan-1-ol?
The InChIKey is QUDSJQZBMPBAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-10-5-6-12(11(14)9-10)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8,13-14H2.
What are the key properties of 6-(2,4-diaminoanilino)hexan-1-ol?
6-(2,4-diaminoanilino)hexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diaminoanilino)hexan-1-ol is sourced from PubChem (CID 143590092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).