2-aminodec-8-yn-5-one

C10H17NO — CID 116571844

IUPAC2-aminodec-8-yn-5-one
SMILESCC#CCCC(=O)CCC(C)N
InChIInChI=1S/C10H17NO/c1-3-4-5-6-10(12)8-7-9(2)11/h9H,5-8,11H2,1-2H3
InChIKeyLWDPIIZLJBFALO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.49
Rot. Bonds5

About 2-aminodec-8-yn-5-one

2-aminodec-8-yn-5-one (PubChem CID 116571844) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-aminodec-8-yn-5-one.

Molecular Properties

Compound Name2-aminodec-8-yn-5-one
PubChem CID116571844
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-aminodec-8-yn-5-one
SMILESCC#CCCC(=O)CCC(C)N
InChIInChI=1S/C10H17NO/c1-3-4-5-6-10(12)8-7-9(2)11/h9H,5-8,11H2,1-2H3
InChIKeyLWDPIIZLJBFALO-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.49
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

11-amino-7-methyldodec-2-yn-6-one
CID 116574387
8-aminoundec-2-yn-6-one
CID 116608034
1-(propan-2-ylamino)oct-6-yn-3-one
CID 116556591
2-amino-3-methylnon-7-yn-4-one
CID 116612422
1-hydroxynon-7-yn-4-one
CID 106677619
1-amino-1-cyclopropyloct-6-yn-3-one
CID 116608937
2-methyloct-6-yn-3-one
CID 62310972
(2R)-2-aminohept-5-ynamide
CID 55284059
5-amino-1-ethoxyhexan-2-one
CID 116571563
4-aminopentanoic acid;ethane
CID 143436801
1-cyclopropylhept-5-yn-2-one
CID 104803463
sodium hex-4-ynoate
CID 141345346

Frequently Asked Questions

What is the IUPAC name of 2-aminodec-8-yn-5-one?
The IUPAC name of 2-aminodec-8-yn-5-one (CID 116571844) is 2-aminodec-8-yn-5-one.
What is the SMILES notation for 2-aminodec-8-yn-5-one?
The canonical SMILES for 2-aminodec-8-yn-5-one is CC#CCCC(=O)CCC(C)N.
What is the InChIKey of 2-aminodec-8-yn-5-one?
The InChIKey is LWDPIIZLJBFALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-10(12)8-7-9(2)11/h9H,5-8,11H2,1-2H3.
What are the key properties of 2-aminodec-8-yn-5-one?
2-aminodec-8-yn-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminodec-8-yn-5-one is sourced from PubChem (CID 116571844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).