N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine

C14H23N3O — CID 80707733

IUPACN-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CNCCCN2CCOCC2)nc1
InChIInChI=1S/C14H23N3O/c1-13-3-4-14(16-11-13)12-15-5-2-6-17-7-9-18-10-8-17/h3-4,11,15H,2,5-10,12H2,1H3
InChIKeyQJEMMBJOAUWALN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.20
Rot. Bonds6

About N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 80707733) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID80707733
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CNCCCN2CCOCC2)nc1
InChIInChI=1S/C14H23N3O/c1-13-3-4-14(16-11-13)12-15-5-2-6-17-7-9-18-10-8-17/h3-4,11,15H,2,5-10,12H2,1H3
InChIKeyQJEMMBJOAUWALN-UHFFFAOYSA-N
XLogP1.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 80707733) is N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CNCCCN2CCOCC2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is QJEMMBJOAUWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13-3-4-14(16-11-13)12-15-5-2-6-17-7-9-18-10-8-17/h3-4,11,15H,2,5-10,12H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 80707733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).