2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol

C11H18N2O — CID 115360857

IUPAC2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
SMILESCc1cnccc1NCC(C)(C)CO
InChIInChI=1S/C11H18N2O/c1-9-6-12-5-4-10(9)13-7-11(2,3)8-14/h4-6,14H,7-8H2,1-3H3,(H,12,13)
InChIKeyPIMZQFLOORKYHW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.82
Rot. Bonds4

About 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol

2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol (PubChem CID 115360857) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
PubChem CID115360857
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
SMILESCc1cnccc1NCC(C)(C)CO
InChIInChI=1S/C11H18N2O/c1-9-6-12-5-4-10(9)13-7-11(2,3)8-14/h4-6,14H,7-8H2,1-3H3,(H,12,13)
InChIKeyPIMZQFLOORKYHW-UHFFFAOYSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol (CID 115360857) is 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol is Cc1cnccc1NCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol?
The InChIKey is PIMZQFLOORKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-6-12-5-4-10(9)13-7-11(2,3)8-14/h4-6,14H,7-8H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol?
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 115360857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).