2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol

C11H21NO2 — CID 64550979

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-3-11(2,9-13)12-8-10-6-4-5-7-14-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyHGDFHMNGFCZZGF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds5

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol (PubChem CID 64550979) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol
PubChem CID64550979
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-3-11(2,9-13)12-8-10-6-4-5-7-14-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyHGDFHMNGFCZZGF-UHFFFAOYSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine
CID 62064254
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine
CID 62064379
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxybutan-1-amine
CID 62064433
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine
CID 62064594
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 62064601
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine
CID 62064712
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethanol
CID 62064714
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine
CID 62064759
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpentan-3-amine
CID 62064762
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-2-amine
CID 62064869
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
CID 62064870

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol (CID 64550979) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol is CCC(C)(CO)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol?
The InChIKey is HGDFHMNGFCZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(2,9-13)12-8-10-6-4-5-7-14-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64550979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).