[4-(propoxymethyl)-2-pyridinyl]methanamine

C10H16N2O — CID 63887669

IUPAC[4-(propoxymethyl)-2-pyridinyl]methanamine
SMILESCCCOCc1ccnc(CN)c1
InChIInChI=1S/C10H16N2O/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,7-8,11H2,1H3
InChIKeyCKCVLQMLSMAOPA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.47
Rot. Bonds5

About [4-(propoxymethyl)-2-pyridinyl]methanamine

[4-(propoxymethyl)-2-pyridinyl]methanamine (PubChem CID 63887669) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [4-(propoxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(propoxymethyl)-2-pyridinyl]methanamine
PubChem CID63887669
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[4-(propoxymethyl)-2-pyridinyl]methanamine
SMILESCCCOCc1ccnc(CN)c1
InChIInChI=1S/C10H16N2O/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,7-8,11H2,1H3
InChIKeyCKCVLQMLSMAOPA-UHFFFAOYSA-N
XLogP1.47
TPSA48.14 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 ≤ 51.47
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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Related Compounds

4-(2-propoxyethoxymethyl)pyridin-2-amine
CID 63684235
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
N-methyl-4-(propoxymethyl)pyridin-2-amine
CID 62466206
2-chloro-4-(2-propoxyethoxymethyl)pyridine
CID 63684727
4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045
[2-(propoxymethyl)-4-pyridinyl]hydrazine
CID 79259211
1-[2-(aminomethyl)-4-pyridinyl]-2-propoxyethanone
CID 116601901
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 63887885
4-(heptoxymethyl)pyridin-2-amine
CID 62465689
[4-(cyclohexylmethoxymethyl)-2-pyridinyl]methanamine
CID 63882665
N-methyl-2-(propoxymethyl)pyridin-4-amine
CID 79250658
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881301

Frequently Asked Questions

What is the IUPAC name of [4-(propoxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(propoxymethyl)-2-pyridinyl]methanamine (CID 63887669) is [4-(propoxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(propoxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(propoxymethyl)-2-pyridinyl]methanamine is CCCOCc1ccnc(CN)c1.
What is the InChIKey of [4-(propoxymethyl)-2-pyridinyl]methanamine?
The InChIKey is CKCVLQMLSMAOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,7-8,11H2,1H3.
What are the key properties of [4-(propoxymethyl)-2-pyridinyl]methanamine?
[4-(propoxymethyl)-2-pyridinyl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propoxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 63887669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).