N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine

C13H21N3O — CID 55054747

IUPACN-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C13H21N3O/c1-2-6-14-11-12-4-3-5-13(15-12)16-7-9-17-10-8-16/h3-5,14H,2,6-11H2,1H3
InChIKeyDJNTYDYWSUVZHU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds5

About N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine

N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 55054747) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
PubChem CID55054747
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C13H21N3O/c1-2-6-14-11-12-4-3-5-13(15-12)16-7-9-17-10-8-16/h3-5,14H,2,6-11H2,1H3
InChIKeyDJNTYDYWSUVZHU-UHFFFAOYSA-N
XLogP1.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
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

N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
N-[[6-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62972131
2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol
CID 167980202
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62285237
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 102967586
2-methyl-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-amine
CID 83896771
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 138053151
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
N-[[6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]ethanamine
CID 62282778

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine (CID 55054747) is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine is CCCNCc1cccc(N2CCOCC2)n1.
What is the InChIKey of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is DJNTYDYWSUVZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-6-14-11-12-4-3-5-13(15-12)16-7-9-17-10-8-16/h3-5,14H,2,6-11H2,1H3.
What are the key properties of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine?
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 55054747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).