2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide

C14H25N3O2 — CID 114398610

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CCOC(CN)C1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,6-3)16-13(18)11-17-7-8-19-12(9-15)10-17/h1,12H,5-11,15H2,2-3H3,(H,16,18)
InChIKeyLTMIKCTXDIEAKL-UHFFFAOYSA-N
MW267.37 g/mol
LogP-0.05
Rot. Bonds6

About 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 114398610) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID114398610
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CCOC(CN)C1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,6-3)16-13(18)11-17-7-8-19-12(9-15)10-17/h1,12H,5-11,15H2,2-3H3,(H,16,18)
InChIKeyLTMIKCTXDIEAKL-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 65249512
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 81460905
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936046
2-(2-ethylmorpholin-4-yl)acetohydrazide
CID 63573112
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 63595882
2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
CID 78946382
2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
CID 131054195
2-[2-(aminomethyl)morpholin-4-yl]-N-cycloheptylacetamide
CID 62548940
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 114398610) is 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CN1CCOC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is LTMIKCTXDIEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(5-2,6-3)16-13(18)11-17-7-8-19-12(9-15)10-17/h1,12H,5-11,15H2,2-3H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 114398610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).