N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C14H23N3O — CID 55140934

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1cc(CNCCCN2CCCC2)ccn1
InChIInChI=1S/C14H23N3O/c1-18-14-11-13(5-7-16-14)12-15-6-4-10-17-8-2-3-9-17/h5,7,11,15H,2-4,6,8-10,12H2,1H3
InChIKeyRJZUTTXUCZGSTH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds7

About N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 55140934) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID55140934
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1cc(CNCCCN2CCCC2)ccn1
InChIInChI=1S/C14H23N3O/c1-18-14-11-13(5-7-16-14)12-15-6-4-10-17-8-2-3-9-17/h5,7,11,15H,2-4,6,8-10,12H2,1H3
InChIKeyRJZUTTXUCZGSTH-UHFFFAOYSA-N
XLogP1.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
(1R,2R,3R,4S)-3-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495336
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657313

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 55140934) is N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is COc1cc(CNCCCN2CCCC2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RJZUTTXUCZGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14-11-13(5-7-16-14)12-15-6-4-10-17-8-2-3-9-17/h5,7,11,15H,2-4,6,8-10,12H2,1H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 55140934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).