N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine

C12H27N3O — CID 155707218

IUPACN-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CN(CCNCC)CCO1
InChIInChI=1S/C12H27N3O/c1-3-5-14-10-12-11-15(8-9-16-12)7-6-13-4-2/h12-14H,3-11H2,1-2H3
InChIKeyOZLAVIPVMXIOET-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.30
Rot. Bonds8

About N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine

N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine (PubChem CID 155707218) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
PubChem CID155707218
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CN(CCNCC)CCO1
InChIInChI=1S/C12H27N3O/c1-3-5-14-10-12-11-15(8-9-16-12)7-6-13-4-2/h12-14H,3-11H2,1-2H3
InChIKeyOZLAVIPVMXIOET-UHFFFAOYSA-N
XLogP0.30
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
CID 155739567
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
N-(cyclopropylmethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 60866421
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N-ethyl-2-[2-[2-[(methylphosphanylmethylamino)methyl]morpholin-4-yl]ethoxy]ethanamine
CID 155741179
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
potassium;carbanide;ethane;N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N-methylformamide
CID 164557349
N-[(4-propylmorpholin-2-yl)methyl]formamide
CID 142615985
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine (CID 155707218) is N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine is CCCNCC1CN(CCNCC)CCO1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The InChIKey is OZLAVIPVMXIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-5-14-10-12-11-15(8-9-16-12)7-6-13-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 155707218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).