4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol

C13H18N2O2 — CID 103705336

IUPAC4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nccc2occc12
InChIInChI=1S/C13H18N2O2/c1-13(2,5-7-16)9-15-12-10-4-8-17-11(10)3-6-14-12/h3-4,6,8,16H,5,7,9H2,1-2H3,(H,14,15)
InChIKeyOXFWVPQUPJCNTJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.65
Rot. Bonds5

About 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol

4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol (PubChem CID 103705336) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol
PubChem CID103705336
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nccc2occc12
InChIInChI=1S/C13H18N2O2/c1-13(2,5-7-16)9-15-12-10-4-8-17-11(10)3-6-14-12/h3-4,6,8,16H,5,7,9H2,1-2H3,(H,14,15)
InChIKeyOXFWVPQUPJCNTJ-UHFFFAOYSA-N
XLogP2.65
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol (CID 103705336) is 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1nccc2occc12.
What is the InChIKey of 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is OXFWVPQUPJCNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,5-7-16)9-15-12-10-4-8-17-11(10)3-6-14-12/h3-4,6,8,16H,5,7,9H2,1-2H3,(H,14,15).
What are the key properties of 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol?
4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103705336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).