N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine

C13H30N3O2P — CID 155741179

IUPACN-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine
SMILESCCNCCOCCN1CCOC(CNCPC)C1
InChIInChI=1S/C13H30N3O2P/c1-3-14-4-7-17-8-5-16-6-9-18-13(11-16)10-15-12-19-2/h13-15,19H,3-12H2,1-2H3
InChIKeyVVMXYJFCNQDTQP-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.17
Rot. Bonds11

About N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine

N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine (PubChem CID 155741179) has the molecular formula C13H30N3O2P and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine
PubChem CID155741179
Molecular FormulaC13H30N3O2P
Molecular Weight291.38 g/mol
Exact Mass291.21
IUPAC NameN-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine
SMILESCCNCCOCCN1CCOC(CNCPC)C1
InChIInChI=1S/C13H30N3O2P/c1-3-14-4-7-17-8-5-16-6-9-18-13(11-16)10-15-12-19-2/h13-15,19H,3-12H2,1-2H3
InChIKeyVVMXYJFCNQDTQP-UHFFFAOYSA-N
XLogP0.17
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methylamino]methanethiol
CID 170250687
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 114127523
N-(2-ethoxyethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 62561352
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine (CID 155741179) is N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine is CCNCCOCCN1CCOC(CNCPC)C1.
What is the InChIKey of N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine?
The InChIKey is VVMXYJFCNQDTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N3O2P/c1-3-14-4-7-17-8-5-16-6-9-18-13(11-16)10-15-12-19-2/h13-15,19H,3-12H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine?
N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine has a molecular weight of 291.38 g/mol, XLogP of 0.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine is sourced from PubChem (CID 155741179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).