3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol

C13H21NO2 — CID 79137878

IUPAC3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol
SMILESCC1CC1c1ccc(C(O)C(C)(C)CN)o1
InChIInChI=1S/C13H21NO2/c1-8-6-9(8)10-4-5-11(16-10)12(15)13(2,3)7-14/h4-5,8-9,12,15H,6-7,14H2,1-3H3
InChIKeyHIIVDUFQKGOUJG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol

3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol (PubChem CID 79137878) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol
PubChem CID79137878
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol
SMILESCC1CC1c1ccc(C(O)C(C)(C)CN)o1
InChIInChI=1S/C13H21NO2/c1-8-6-9(8)10-4-5-11(16-10)12(15)13(2,3)7-14/h4-5,8-9,12,15H,6-7,14H2,1-3H3
InChIKeyHIIVDUFQKGOUJG-UHFFFAOYSA-N
XLogP2.42
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol (CID 79137878) is 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol is CC1CC1c1ccc(C(O)C(C)(C)CN)o1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol?
The InChIKey is HIIVDUFQKGOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-6-9(8)10-4-5-11(16-10)12(15)13(2,3)7-14/h4-5,8-9,12,15H,6-7,14H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol?
3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol is sourced from PubChem (CID 79137878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).