1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one

C11H22N2O2 — CID 114873390

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCOC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-3-9(2)6-11(14)13-4-5-15-10(7-12)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyYOSZCJAXSQFFCC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one

1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one (PubChem CID 114873390) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
PubChem CID114873390
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCOC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-3-9(2)6-11(14)13-4-5-15-10(7-12)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyYOSZCJAXSQFFCC-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114876906
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402
1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
CID 61336421
2-(aminomethyl)-N-ethylmorpholine-4-carboxamide
CID 61337795
1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
CID 103840827
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
1-[2-(aminomethyl)morpholin-4-yl]but-2-yn-1-one
CID 107990828
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one (CID 114873390) is 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCOC(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is YOSZCJAXSQFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9(2)6-11(14)13-4-5-15-10(7-12)8-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one?
1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 114873390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).