N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine

C10H16N2O — CID 62291375

IUPACN-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccn1
InChIInChI=1S/C10H16N2O/c1-3-5-11-8-9-7-10(13-2)4-6-12-9/h4,6-7,11H,3,5,8H2,1-2H3
InChIKeyBAQMFOJXVAMGQH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds5

About N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine

N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 62291375) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID62291375
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccn1
InChIInChI=1S/C10H16N2O/c1-3-5-11-8-9-7-10(13-2)4-6-12-9/h4,6-7,11H,3,5,8H2,1-2H3
InChIKeyBAQMFOJXVAMGQH-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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

N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
CID 63984828
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
4-methoxy-2-propylpyridine
CID 11084054
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103399695
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200
N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 76938521
N-methyl-N-[2-[[2-(propylaminomethyl)-4-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740576

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine (CID 62291375) is N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine is CCCNCc1cc(OC)ccn1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is BAQMFOJXVAMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-11-8-9-7-10(13-2)4-6-12-9/h4,6-7,11H,3,5,8H2,1-2H3.
What are the key properties of N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine?
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62291375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).