N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine

C10H14N2O — CID 105074848

IUPACN-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
SMILESC=CCOc1cnccc1CNC
InChIInChI=1S/C10H14N2O/c1-3-6-13-10-8-12-5-4-9(10)7-11-2/h3-5,8,11H,1,6-7H2,2H3
InChIKeyPAVXQUZYFABCQP-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine

N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine (PubChem CID 105074848) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
PubChem CID105074848
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
SMILESC=CCOc1cnccc1CNC
InChIInChI=1S/C10H14N2O/c1-3-6-13-10-8-12-5-4-9(10)7-11-2/h3-5,8,11H,1,6-7H2,2H3
InChIKeyPAVXQUZYFABCQP-UHFFFAOYSA-N
XLogP1.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
CID 105075104
1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
CID 81254371
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 105075970
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212
1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine
CID 165467768
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine (CID 105074848) is N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine is C=CCOc1cnccc1CNC.
What is the InChIKey of N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine?
The InChIKey is PAVXQUZYFABCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-6-13-10-8-12-5-4-9(10)7-11-2/h3-5,8,11H,1,6-7H2,2H3.
What are the key properties of N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine?
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine has a molecular weight of 178.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 105074848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).