N-methyl-2-(propoxymethyl)pyridin-4-amine

C10H16N2O — CID 79250658

IUPACN-methyl-2-(propoxymethyl)pyridin-4-amine
SMILESCCCOCc1cc(NC)ccn1
InChIInChI=1S/C10H16N2O/c1-3-6-13-8-10-7-9(11-2)4-5-12-10/h4-5,7H,3,6,8H2,1-2H3,(H,11,12)
InChIKeyWMRUFRXHBBNFAW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-2-(propoxymethyl)pyridin-4-amine

N-methyl-2-(propoxymethyl)pyridin-4-amine (PubChem CID 79250658) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methyl-2-(propoxymethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(propoxymethyl)pyridin-4-amine
PubChem CID79250658
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-methyl-2-(propoxymethyl)pyridin-4-amine
SMILESCCCOCc1cc(NC)ccn1
InChIInChI=1S/C10H16N2O/c1-3-6-13-8-10-7-9(11-2)4-5-12-10/h4-5,7H,3,6,8H2,1-2H3,(H,11,12)
InChIKeyWMRUFRXHBBNFAW-UHFFFAOYSA-N
XLogP2.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propoxymethyl)pyridin-4-amine?
The IUPAC name of N-methyl-2-(propoxymethyl)pyridin-4-amine (CID 79250658) is N-methyl-2-(propoxymethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-2-(propoxymethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-2-(propoxymethyl)pyridin-4-amine is CCCOCc1cc(NC)ccn1.
What is the InChIKey of N-methyl-2-(propoxymethyl)pyridin-4-amine?
The InChIKey is WMRUFRXHBBNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-6-13-8-10-7-9(11-2)4-5-12-10/h4-5,7H,3,6,8H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-2-(propoxymethyl)pyridin-4-amine?
N-methyl-2-(propoxymethyl)pyridin-4-amine has a molecular weight of 180.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propoxymethyl)pyridin-4-amine is sourced from PubChem (CID 79250658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).