N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine

C14H22N2O — CID 55058277

IUPACN-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
SMILESC=CCOc1nc(C)cc(C)c1CNC(C)C
InChIInChI=1S/C14H22N2O/c1-6-7-17-14-13(9-15-10(2)3)11(4)8-12(5)16-14/h6,8,10,15H,1,7,9H2,2-5H3
InChIKeyTXNICHPZCJSGTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds6

About N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine

N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 55058277) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID55058277
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
SMILESC=CCOc1nc(C)cc(C)c1CNC(C)C
InChIInChI=1S/C14H22N2O/c1-6-7-17-14-13(9-15-10(2)3)11(4)8-12(5)16-14/h6,8,10,15H,1,7,9H2,2-5H3
InChIKeyTXNICHPZCJSGTD-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
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 N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine (CID 55058277) is N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine is C=CCOc1nc(C)cc(C)c1CNC(C)C.
What is the InChIKey of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is TXNICHPZCJSGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-6-7-17-14-13(9-15-10(2)3)11(4)8-12(5)16-14/h6,8,10,15H,1,7,9H2,2-5H3.
What are the key properties of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine?
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 55058277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).