3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol

C10H17N3O2 — CID 106750959

IUPAC3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3O2/c1-10(15,6-14)5-13-7-2-3-8(11)9(12)4-7/h2-4,13-15H,5-6,11-12H2,1H3
InChIKeyZNEUWXGWBZBREL-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.01
Rot. Bonds4

About 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol

3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol (PubChem CID 106750959) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
PubChem CID106750959
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3O2/c1-10(15,6-14)5-13-7-2-3-8(11)9(12)4-7/h2-4,13-15H,5-6,11-12H2,1H3
InChIKeyZNEUWXGWBZBREL-UHFFFAOYSA-N
XLogP0.01
TPSA104.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115358124
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
CID 79466378
2-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 80640880
4-N-tert-butylbenzene-1,2,4-triamine
CID 106750276
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809
1-(3-amino-4-nitroanilino)-2-methylbutan-2-ol
CID 106749390
3-[2-amino-4-(trifluoromethyl)anilino]-2-methylpropane-1,2-diol
CID 66169467
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
2-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzonitrile
CID 114149087

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol (CID 106750959) is 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol is CC(O)(CO)CNc1ccc(N)c(N)c1.
What is the InChIKey of 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol?
The InChIKey is ZNEUWXGWBZBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(15,6-14)5-13-7-2-3-8(11)9(12)4-7/h2-4,13-15H,5-6,11-12H2,1H3.
What are the key properties of 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol?
3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol has a molecular weight of 211.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol is sourced from PubChem (CID 106750959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).