2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol

C11H21NO2 — CID 107443077

IUPAC2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-8(2)10(6-12)11(13)9-4-3-5-14-7-9/h7-8,10-11,13H,3-6,12H2,1-2H3
InChIKeySNTQTQVPXLIVIG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.27
Rot. Bonds4

About 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol (PubChem CID 107443077) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol
PubChem CID107443077
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-8(2)10(6-12)11(13)9-4-3-5-14-7-9/h7-8,10-11,13H,3-6,12H2,1-2H3
InChIKeySNTQTQVPXLIVIG-UHFFFAOYSA-N
XLogP1.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-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-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol (CID 107443077) is 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)C1=COCCC1.
What is the InChIKey of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol?
The InChIKey is SNTQTQVPXLIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(6-12)11(13)9-4-3-5-14-7-9/h7-8,10-11,13H,3-6,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 107443077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).