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

C14H31N3O — CID 170057363

IUPAC2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCCCNCCN1CCO[C@H](CNCC(C)C)C1
InChIInChI=1S/C14H31N3O/c1-4-5-15-6-7-17-8-9-18-14(12-17)11-16-10-13(2)3/h13-16H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyDTQCHMUKQOAKDC-CQSZACIVSA-N
MW257.42 g/mol
LogP0.93
Rot. Bonds9

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

2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine (PubChem CID 170057363) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
PubChem CID170057363
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCCCNCCN1CCO[C@H](CNCC(C)C)C1
InChIInChI=1S/C14H31N3O/c1-4-5-15-6-7-17-8-9-18-14(12-17)11-16-10-13(2)3/h13-16H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyDTQCHMUKQOAKDC-CQSZACIVSA-N
XLogP0.93
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

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-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
CID 171540599
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine (CID 170057363) is 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine is CCCNCCN1CCO[C@H](CNCC(C)C)C1.
What is the InChIKey of 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The InChIKey is DTQCHMUKQOAKDC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-5-15-6-7-17-8-9-18-14(12-17)11-16-10-13(2)3/h13-16H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 170057363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).