[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol

C14H22N2O — CID 113378776

IUPAC[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol
SMILESC=CCN(c1cc(CO)cc(C)n1)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-6-7-16(14(3,4)5)13-9-12(10-17)8-11(2)15-13/h6,8-9,17H,1,7,10H2,2-5H3
InChIKeyOBBCFBCUJILAAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds4

About [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol

[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol (PubChem CID 113378776) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol
PubChem CID113378776
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol
SMILESC=CCN(c1cc(CO)cc(C)n1)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-6-7-16(14(3,4)5)13-9-12(10-17)8-11(2)15-13/h6,8-9,17H,1,7,10H2,2-5H3
InChIKeyOBBCFBCUJILAAY-UHFFFAOYSA-N
XLogP2.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol (CID 113378776) is [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol is C=CCN(c1cc(CO)cc(C)n1)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol?
The InChIKey is OBBCFBCUJILAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-6-7-16(14(3,4)5)13-9-12(10-17)8-11(2)15-13/h6,8-9,17H,1,7,10H2,2-5H3.
What are the key properties of [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol?
[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 113378776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).