N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine

C15H33N3O — CID 166800661

IUPACN,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCCCNCCN1CCO[C@@H](CN(C)CC(C)C)C1
InChIInChI=1S/C15H33N3O/c1-5-6-16-7-8-18-9-10-19-15(13-18)12-17(4)11-14(2)3/h14-16H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyQLJFMXKWNKDOCL-HNNXBMFYSA-N
MW271.45 g/mol
LogP1.27
Rot. Bonds9

About N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine

N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine (PubChem CID 166800661) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
PubChem CID166800661
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCCCNCCN1CCO[C@@H](CN(C)CC(C)C)C1
InChIInChI=1S/C15H33N3O/c1-5-6-16-7-8-18-9-10-19-15(13-18)12-17(4)11-14(2)3/h14-16H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyQLJFMXKWNKDOCL-HNNXBMFYSA-N
XLogP1.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 171539494
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
N-[2-[(2R)-2-[2-(ethylamino)ethyl]morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 167191852
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
CID 167243582
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
N-[2-[2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 155750922

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine (CID 166800661) is N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine is CCCNCCN1CCO[C@@H](CN(C)CC(C)C)C1.
What is the InChIKey of N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The InChIKey is QLJFMXKWNKDOCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-6-16-7-8-18-9-10-19-15(13-18)12-17(4)11-14(2)3/h14-16H,5-13H2,1-4H3/t15-/m0/s1.
What are the key properties of N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 166800661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).