7-methyl-7-morpholin-4-ylundec-5-ynedinitrile

C16H23N3O — CID 102227967

IUPAC7-methyl-7-morpholin-4-ylundec-5-ynedinitrile
SMILESCC(C#CCCCC#N)(CCCC#N)N1CCOCC1
InChIInChI=1S/C16H23N3O/c1-16(9-5-7-11-18,8-4-2-3-6-10-17)19-12-14-20-15-13-19/h2-3,5-7,9,12-15H2,1H3
InChIKeyLHSOJNCNDABRTN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.47
Rot. Bonds6

About 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile

7-methyl-7-morpholin-4-ylundec-5-ynedinitrile (PubChem CID 102227967) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile.

Molecular Properties

Compound Name7-methyl-7-morpholin-4-ylundec-5-ynedinitrile
PubChem CID102227967
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-methyl-7-morpholin-4-ylundec-5-ynedinitrile
SMILESCC(C#CCCCC#N)(CCCC#N)N1CCOCC1
InChIInChI=1S/C16H23N3O/c1-16(9-5-7-11-18,8-4-2-3-6-10-17)19-12-14-20-15-13-19/h2-3,5-7,9,12-15H2,1H3
InChIKeyLHSOJNCNDABRTN-UHFFFAOYSA-N
XLogP2.47
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
4-(2,5,10-Trimethylundec-6-yn-5-yl)morpholine
CID 135042933
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
CID 116536039
2-Morpholin-4-yl-2-propylpentanenitrile
CID 12383925
2-Methyl-2-morpholin-4-ylnonanenitrile
CID 43802966
2-Ethyl-4-methyl-2-morpholin-4-ylhexanenitrile
CID 43802968
1-Morpholin-4-ylcyclododecane-1-carbonitrile
CID 43802977
2-Methyl-2-morpholin-4-yloctanenitrile
CID 43803011
2,5-Dimethyl-2-morpholin-4-ylhexanenitrile
CID 43803017
2-Methyl-2-morpholin-4-ylpentanenitrile
CID 43803018
5-(3,3-Dimethylmorpholin-4-yl)pentanenitrile
CID 61521126

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile?
The IUPAC name of 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile (CID 102227967) is 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile.
What is the SMILES notation for 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile?
The canonical SMILES for 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile is CC(C#CCCCC#N)(CCCC#N)N1CCOCC1.
What is the InChIKey of 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile?
The InChIKey is LHSOJNCNDABRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(9-5-7-11-18,8-4-2-3-6-10-17)19-12-14-20-15-13-19/h2-3,5-7,9,12-15H2,1H3.
What are the key properties of 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile?
7-methyl-7-morpholin-4-ylundec-5-ynedinitrile has a molecular weight of 273.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-morpholin-4-ylundec-5-ynedinitrile is sourced from PubChem (CID 102227967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).