N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine

C11H16N2O — CID 103074948

IUPACN-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC)COc1cccnc1C
InChIInChI=1S/C11H16N2O/c1-9(7-12-3)8-14-11-5-4-6-13-10(11)2/h4-6,12H,1,7-8H2,2-3H3
InChIKeyNNRGIPBLVZQYIL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine

N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074948) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074948
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC)COc1cccnc1C
InChIInChI=1S/C11H16N2O/c1-9(7-12-3)8-14-11-5-4-6-13-10(11)2/h4-6,12H,1,7-8H2,2-3H3
InChIKeyNNRGIPBLVZQYIL-UHFFFAOYSA-N
XLogP1.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.54
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-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine (CID 103074948) is N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine is C=C(CNC)COc1cccnc1C.
What is the InChIKey of N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is NNRGIPBLVZQYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(7-12-3)8-14-11-5-4-6-13-10(11)2/h4-6,12H,1,7-8H2,2-3H3.
What are the key properties of N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine?
N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).