N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine

C16H26ClN3O — CID 114925992

IUPACN-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CC(C)OC(C)(C)C2)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-5-6-18-8-13-7-15(19-9-14(13)17)20-10-12(2)21-16(3,4)11-20/h7,9,12,18H,5-6,8,10-11H2,1-4H3
InChIKeyDESWKFADELRHOS-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.24
Rot. Bonds5

About N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114925992) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114925992
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CC(C)OC(C)(C)C2)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-5-6-18-8-13-7-15(19-9-14(13)17)20-10-12(2)21-16(3,4)11-20/h7,9,12,18H,5-6,8,10-11H2,1-4H3
InChIKeyDESWKFADELRHOS-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379635
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114926213
2-methoxy-N-[[6-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 80636499
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
CID 80939007
N-[[6-(2,2,6-trimethylmorpholin-4-yl)pyridazin-3-yl]methyl]ethanamine
CID 62294833
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
CID 114926849
1-[3-chloro-6-(2,2,6-trimethylmorpholin-4-yl)-2-pyridinyl]-N-methylmethanamine
CID 62293419
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
CID 114926315
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine (CID 114925992) is N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(N2CC(C)OC(C)(C)C2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is DESWKFADELRHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-6-18-8-13-7-15(19-9-14(13)17)20-10-12(2)21-16(3,4)11-20/h7,9,12,18H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 311.86 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114925992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).