1-(3,4-diaminoanilino)pentan-2-ol

C11H19N3O — CID 106751189

IUPAC1-(3,4-diaminoanilino)pentan-2-ol
SMILESCCCC(O)CNc1ccc(N)c(N)c1
InChIInChI=1S/C11H19N3O/c1-2-3-9(15)7-14-8-4-5-10(12)11(13)6-8/h4-6,9,14-15H,2-3,7,12-13H2,1H3
InChIKeyPSSHPQIKNPBJOD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds5

About 1-(3,4-diaminoanilino)pentan-2-ol

1-(3,4-diaminoanilino)pentan-2-ol (PubChem CID 106751189) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3,4-diaminoanilino)pentan-2-ol.

Molecular Properties

Compound Name1-(3,4-diaminoanilino)pentan-2-ol
PubChem CID106751189
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(3,4-diaminoanilino)pentan-2-ol
SMILESCCCC(O)CNc1ccc(N)c(N)c1
InChIInChI=1S/C11H19N3O/c1-2-3-9(15)7-14-8-4-5-10(12)11(13)6-8/h4-6,9,14-15H,2-3,7,12-13H2,1H3
InChIKeyPSSHPQIKNPBJOD-UHFFFAOYSA-N
XLogP1.42
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
1-(3-methyl-4-nitroanilino)pentan-2-ol
CID 115622923
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168
2-[2-amino-5-(2-hydroxybutylamino)phenyl]acetonitrile
CID 102624703
4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine
CID 106751170
4-(2-hydroxypentylamino)-2-nitrobenzonitrile
CID 113495881
1-[(6-amino-1,3-benzoxazol-2-yl)amino]pentan-2-ol
CID 113495532

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diaminoanilino)pentan-2-ol?
The IUPAC name of 1-(3,4-diaminoanilino)pentan-2-ol (CID 106751189) is 1-(3,4-diaminoanilino)pentan-2-ol.
What is the SMILES notation for 1-(3,4-diaminoanilino)pentan-2-ol?
The canonical SMILES for 1-(3,4-diaminoanilino)pentan-2-ol is CCCC(O)CNc1ccc(N)c(N)c1.
What is the InChIKey of 1-(3,4-diaminoanilino)pentan-2-ol?
The InChIKey is PSSHPQIKNPBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-9(15)7-14-8-4-5-10(12)11(13)6-8/h4-6,9,14-15H,2-3,7,12-13H2,1H3.
What are the key properties of 1-(3,4-diaminoanilino)pentan-2-ol?
1-(3,4-diaminoanilino)pentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diaminoanilino)pentan-2-ol is sourced from PubChem (CID 106751189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).