2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide

C14H25N3O2 — CID 124875437

IUPAC2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN([C@@H]2C=CCCC2)CCO1
InChIInChI=1S/C14H25N3O2/c1-16(11-14(15)18)9-13-10-17(7-8-19-13)12-5-3-2-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H2,15,18)/t12-,13+/m1/s1
InChIKeyQUGLVFIXOJZQIS-OLZOCXBDSA-N
MW267.37 g/mol
LogP0.21
Rot. Bonds5

About 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide

2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 124875437) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID124875437
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN([C@@H]2C=CCCC2)CCO1
InChIInChI=1S/C14H25N3O2/c1-16(11-14(15)18)9-13-10-17(7-8-19-13)12-5-3-2-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H2,15,18)/t12-,13+/m1/s1
InChIKeyQUGLVFIXOJZQIS-OLZOCXBDSA-N
XLogP0.21
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide (CID 124875437) is 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide is CN(CC(N)=O)C[C@H]1CN([C@@H]2C=CCCC2)CCO1.
What is the InChIKey of 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is QUGLVFIXOJZQIS-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16(11-14(15)18)9-13-10-17(7-8-19-13)12-5-3-2-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H2,15,18)/t12-,13+/m1/s1.
What are the key properties of 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide?
2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 124875437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).