3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine

C11H25N3O — CID 157048783

IUPAC3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
SMILESCNCCCN1CCOC(CN(C)C)C1
InChIInChI=1S/C11H25N3O/c1-12-5-4-6-14-7-8-15-11(10-14)9-13(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJJHMGHMLKKFJCO-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.14
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine

3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine (PubChem CID 157048783) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
PubChem CID157048783
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
SMILESCNCCCN1CCOC(CN(C)C)C1
InChIInChI=1S/C11H25N3O/c1-12-5-4-6-14-7-8-15-11(10-14)9-13(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJJHMGHMLKKFJCO-UHFFFAOYSA-N
XLogP-0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.14
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

3-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831936
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682
N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine
CID 156533492
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
4-O-[2-[2-[(dimethylamino)methyl]morpholin-4-yl]ethyl] 1-O-methyl (E)-but-2-enedioate;hydrochloride
CID 90411125

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine (CID 157048783) is 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine is CNCCCN1CCOC(CN(C)C)C1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine?
The InChIKey is JJHMGHMLKKFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-12-5-4-6-14-7-8-15-11(10-14)9-13(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine?
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 157048783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).