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

C12H19N3O — CID 106751240

IUPAC3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(N)c(N)c1
InChIInChI=1S/C12H19N3O/c1-12(2)10(6-11(12)16)15-7-3-4-8(13)9(14)5-7/h3-5,10-11,15-16H,6,13-14H2,1-2H3
InChIKeyWZKVXLYDZMBGAB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.42
Rot. Bonds2

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

3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 106751240) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
PubChem CID106751240
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(N)c(N)c1
InChIInChI=1S/C12H19N3O/c1-12(2)10(6-11(12)16)15-7-3-4-8(13)9(14)5-7/h3-5,10-11,15-16H,6,13-14H2,1-2H3
InChIKeyWZKVXLYDZMBGAB-UHFFFAOYSA-N
XLogP1.42
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
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

3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
2-amino-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzonitrile
CID 114628586
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632838
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-(2-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628604
3-(4-amino-2-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628645
3-(2-amino-5-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628781
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol (CID 106751240) is 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccc(N)c(N)c1.
What is the InChIKey of 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is WZKVXLYDZMBGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)10(6-11(12)16)15-7-3-4-8(13)9(14)5-7/h3-5,10-11,15-16H,6,13-14H2,1-2H3.
What are the key properties of 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol?
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 106751240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).