2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol

C11H21NO2 — CID 107443210

IUPAC2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-8(2)9(7-12)11(13)10-5-3-4-6-14-10/h5,8-9,11,13H,3-4,6-7,12H2,1-2H3
InChIKeyZUEXRBHTMSWHTN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.27
Rot. Bonds4

About 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol (PubChem CID 107443210) 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-6-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
PubChem CID107443210
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-8(2)9(7-12)11(13)10-5-3-4-6-14-10/h5,8-9,11,13H,3-4,6-7,12H2,1-2H3
InChIKeyZUEXRBHTMSWHTN-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

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604666
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
CID 102654880
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-2-phenylpentan-1-ol
CID 102649655
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
CID 102646549
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
CID 130123097
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol (CID 107443210) is 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)C1=CCCCO1.
What is the InChIKey of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol?
The InChIKey is ZUEXRBHTMSWHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)9(7-12)11(13)10-5-3-4-6-14-10/h5,8-9,11,13H,3-4,6-7,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-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-6-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 107443210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).