3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol

C12H21NO2 — CID 167206185

IUPAC3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol
SMILESCC=CC(C)(C)NCC1OC=CC1(C)O
InChIInChI=1S/C12H21NO2/c1-5-6-11(2,3)13-9-10-12(4,14)7-8-15-10/h5-8,10,13-14H,9H2,1-4H3
InChIKeyJLTKRDWSROHNJA-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.59
Rot. Bonds4

About 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol

3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol (PubChem CID 167206185) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol
PubChem CID167206185
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol
SMILESCC=CC(C)(C)NCC1OC=CC1(C)O
InChIInChI=1S/C12H21NO2/c1-5-6-11(2,3)13-9-10-12(4,14)7-8-15-10/h5-8,10,13-14H,9H2,1-4H3
InChIKeyJLTKRDWSROHNJA-UHFFFAOYSA-N
XLogP1.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-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-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol?
The IUPAC name of 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol (CID 167206185) is 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol.
What is the SMILES notation for 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol?
The canonical SMILES for 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol is CC=CC(C)(C)NCC1OC=CC1(C)O.
What is the InChIKey of 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol?
The InChIKey is JLTKRDWSROHNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-6-11(2,3)13-9-10-12(4,14)7-8-15-10/h5-8,10,13-14H,9H2,1-4H3.
What are the key properties of 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol?
3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol has a molecular weight of 211.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpent-3-en-2-ylamino)methyl]-2H-furan-3-ol is sourced from PubChem (CID 167206185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).