1-(prop-2-ynylamino)undecan-2-one

C14H25NO — CID 116589334

IUPAC1-(prop-2-ynylamino)undecan-2-one
SMILESC#CCNCC(=O)CCCCCCCCC
InChIInChI=1S/C14H25NO/c1-3-5-6-7-8-9-10-11-14(16)13-15-12-4-2/h2,15H,3,5-13H2,1H3
InChIKeyKWGLPHKZASSNRK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.92
Rot. Bonds11

About 1-(prop-2-ynylamino)undecan-2-one

1-(prop-2-ynylamino)undecan-2-one (PubChem CID 116589334) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(prop-2-ynylamino)undecan-2-one.

Molecular Properties

Compound Name1-(prop-2-ynylamino)undecan-2-one
PubChem CID116589334
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(prop-2-ynylamino)undecan-2-one
SMILESC#CCNCC(=O)CCCCCCCCC
InChIInChI=1S/C14H25NO/c1-3-5-6-7-8-9-10-11-14(16)13-15-12-4-2/h2,15H,3,5-13H2,1H3
InChIKeyKWGLPHKZASSNRK-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(propylamino)tetradecan-2-one
CID 116562895
hexadec-1-yn-4-one
CID 170548739
dodec-1-yn-4-one
CID 114961959
nonadec-18-yn-8-one
CID 142782006
sodium 2-(2-oxopentadecylamino)acetate
CID 87777451
2-(2-oxodecylamino)ethanesulfonic acid
CID 167430705
CID 172852478
CID 172852478
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342
nonatriacontane-8,29-dione
CID 150237018

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-ynylamino)undecan-2-one?
The IUPAC name of 1-(prop-2-ynylamino)undecan-2-one (CID 116589334) is 1-(prop-2-ynylamino)undecan-2-one.
What is the SMILES notation for 1-(prop-2-ynylamino)undecan-2-one?
The canonical SMILES for 1-(prop-2-ynylamino)undecan-2-one is C#CCNCC(=O)CCCCCCCCC.
What is the InChIKey of 1-(prop-2-ynylamino)undecan-2-one?
The InChIKey is KWGLPHKZASSNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-6-7-8-9-10-11-14(16)13-15-12-4-2/h2,15H,3,5-13H2,1H3.
What are the key properties of 1-(prop-2-ynylamino)undecan-2-one?
1-(prop-2-ynylamino)undecan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-ynylamino)undecan-2-one is sourced from PubChem (CID 116589334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).