1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol

C13H25NO — CID 156804501

IUPAC1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
SMILESCC1=C(C)CN(C(O)CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10-6-7-14(9-11(10)2)12(15)8-13(3,4)5/h12,15H,6-9H2,1-5H3
InChIKeySLTAUMVTNXPYKR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.78
Rot. Bonds2

About 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol

1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol (PubChem CID 156804501) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
PubChem CID156804501
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
SMILESCC1=C(C)CN(C(O)CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10-6-7-14(9-11(10)2)12(15)8-13(3,4)5/h12,15H,6-9H2,1-5H3
InChIKeySLTAUMVTNXPYKR-UHFFFAOYSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol (CID 156804501) is 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol is CC1=C(C)CN(C(O)CC(C)(C)C)CC1.
What is the InChIKey of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
The InChIKey is SLTAUMVTNXPYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-6-7-14(9-11(10)2)12(15)8-13(3,4)5/h12,15H,6-9H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol?
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 156804501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).