2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol

C10H19NO — CID 117274067

IUPAC2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
SMILESCN1CC=C(C(C)(C)CO)CC1
InChIInChI=1S/C10H19NO/c1-10(2,8-12)9-4-6-11(3)7-5-9/h4,12H,5-8H2,1-3H3
InChIKeyPFLBMXKCSGPHDP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol

2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol (PubChem CID 117274067) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
PubChem CID117274067
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
SMILESCN1CC=C(C(C)(C)CO)CC1
InChIInChI=1S/C10H19NO/c1-10(2,8-12)9-4-6-11(3)7-5-9/h4,12H,5-8H2,1-3H3
InChIKeyPFLBMXKCSGPHDP-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
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 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol (CID 117274067) is 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol is CN1CC=C(C(C)(C)CO)CC1.
What is the InChIKey of 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
The InChIKey is PFLBMXKCSGPHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,8-12)9-4-6-11(3)7-5-9/h4,12H,5-8H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol?
2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol is sourced from PubChem (CID 117274067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).