(1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol

C11H21NO — CID 135142129

IUPAC(1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol
SMILESCC1CCN(C(C)(C)C)C=C1CO
InChIInChI=1S/C11H21NO/c1-9-5-6-12(11(2,3)4)7-10(9)8-13/h7,9,13H,5-6,8H2,1-4H3
InChIKeyIKPMYOPJHHKFEI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.00
Rot. Bonds1

About (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol

(1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol (PubChem CID 135142129) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol
PubChem CID135142129
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol
SMILESCC1CCN(C(C)(C)C)C=C1CO
InChIInChI=1S/C11H21NO/c1-9-5-6-12(11(2,3)4)7-10(9)8-13/h7,9,13H,5-6,8H2,1-4H3
InChIKeyIKPMYOPJHHKFEI-UHFFFAOYSA-N
XLogP2.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol?
The IUPAC name of (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol (CID 135142129) is (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol.
What is the SMILES notation for (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol?
The canonical SMILES for (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol is CC1CCN(C(C)(C)C)C=C1CO.
What is the InChIKey of (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol?
The InChIKey is IKPMYOPJHHKFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-6-12(11(2,3)4)7-10(9)8-13/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol?
(1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-4-methyl-3,4-dihydro-2H-pyridin-5-yl)methanol is sourced from PubChem (CID 135142129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).