11-amino-7-methyldodec-2-yn-6-one

C13H23NO — CID 116574387

IUPAC11-amino-7-methyldodec-2-yn-6-one
SMILESCC#CCCC(=O)C(C)CCCC(C)N
InChIInChI=1S/C13H23NO/c1-4-5-6-10-13(15)11(2)8-7-9-12(3)14/h11-12H,6-10,14H2,1-3H3
InChIKeyYNUUUWPKALMICS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.51
Rot. Bonds7

About 11-amino-7-methyldodec-2-yn-6-one

11-amino-7-methyldodec-2-yn-6-one (PubChem CID 116574387) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 11-amino-7-methyldodec-2-yn-6-one.

Molecular Properties

Compound Name11-amino-7-methyldodec-2-yn-6-one
PubChem CID116574387
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name11-amino-7-methyldodec-2-yn-6-one
SMILESCC#CCCC(=O)C(C)CCCC(C)N
InChIInChI=1S/C13H23NO/c1-4-5-6-10-13(15)11(2)8-7-9-12(3)14/h11-12H,6-10,14H2,1-3H3
InChIKeyYNUUUWPKALMICS-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-isovaleroylnonylamine
CID 129775795
l-Isoleucyl-aminooctadecane
CID 132427215
10-Amino-1,1,1-trifluoro-6-methylundecan-5-one
CID 116574296
9-Amino-1,1,1-trifluoro-5-methyldecan-4-one
CID 116574348
5-Amino-7-methyloctan-4-one
CID 437072
2-Amino-1-cyclopentyl-3-methylpentan-1-one
CID 9834409
2-Amino-1-cyclopentyl-3-methylbutan-1-one
CID 9899172
1,3-Diamino-5-methyltridecan-4-one
CID 17904149
1-Amino-1-cyclohexylpropan-2-one
CID 18726547
2-Amino-4-propan-2-ylcycloheptan-1-one
CID 20484719
3-Amino-4-methylcycloheptan-1-one
CID 20484723
4,8-Diamino-2-methyloctan-3-one
CID 20612173

Frequently Asked Questions

What is the IUPAC name of 11-amino-7-methyldodec-2-yn-6-one?
The IUPAC name of 11-amino-7-methyldodec-2-yn-6-one (CID 116574387) is 11-amino-7-methyldodec-2-yn-6-one.
What is the SMILES notation for 11-amino-7-methyldodec-2-yn-6-one?
The canonical SMILES for 11-amino-7-methyldodec-2-yn-6-one is CC#CCCC(=O)C(C)CCCC(C)N.
What is the InChIKey of 11-amino-7-methyldodec-2-yn-6-one?
The InChIKey is YNUUUWPKALMICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-6-10-13(15)11(2)8-7-9-12(3)14/h11-12H,6-10,14H2,1-3H3.
What are the key properties of 11-amino-7-methyldodec-2-yn-6-one?
11-amino-7-methyldodec-2-yn-6-one has a molecular weight of 209.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-7-methyldodec-2-yn-6-one is sourced from PubChem (CID 116574387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).