2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol

C12H21NO2 — CID 115751882

IUPAC2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1occc1C
InChIInChI=1S/C12H21NO2/c1-4-12(3,9-14)8-13-7-11-10(2)5-6-15-11/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyHQUJBLWYRBDDQQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.09
Rot. Bonds6

About 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol

2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol (PubChem CID 115751882) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
PubChem CID115751882
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1occc1C
InChIInChI=1S/C12H21NO2/c1-4-12(3,9-14)8-13-7-11-10(2)5-6-15-11/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyHQUJBLWYRBDDQQ-UHFFFAOYSA-N
XLogP2.09
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-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 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol (CID 115751882) is 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol is CCC(C)(CO)CNCc1occc1C.
What is the InChIKey of 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol?
The InChIKey is HQUJBLWYRBDDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-12(3,9-14)8-13-7-11-10(2)5-6-15-11/h5-6,13-14H,4,7-9H2,1-3H3.
What are the key properties of 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol?
2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115751882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).