10-amino-2-methyldecan-4-one

C11H23NO — CID 116551412

IUPAC10-amino-2-methyldecan-4-one
SMILESCC(C)CC(=O)CCCCCCN
InChIInChI=1S/C11H23NO/c1-10(2)9-11(13)7-5-3-4-6-8-12/h10H,3-9,12H2,1-2H3
InChIKeyXIVXQLNFVIYVSY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds8

About 10-amino-2-methyldecan-4-one

10-amino-2-methyldecan-4-one (PubChem CID 116551412) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 10-amino-2-methyldecan-4-one.

Molecular Properties

Compound Name10-amino-2-methyldecan-4-one
PubChem CID116551412
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name10-amino-2-methyldecan-4-one
SMILESCC(C)CC(=O)CCCCCCN
InChIInChI=1S/C11H23NO/c1-10(2)9-11(13)7-5-3-4-6-8-12/h10H,3-9,12H2,1-2H3
InChIKeyXIVXQLNFVIYVSY-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylhexadecan-4-one
CID 63411798
1-amino-7-methylnonan-5-one
CID 116571906
11-amino-3-ethylundecan-5-one
CID 116551553
9-bromo-2-methylnonan-4-one
CID 173106418
2-methylhexadecane-4,7-dione
CID 57053022
14-aminotetradecan-3-one
CID 178176766
7-amino-1-hydroxyheptan-2-one
CID 58492627
2-methyl-9-tritiononan-4-one
CID 58830992
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
8-hydroxy-2-methylnonan-4-one
CID 57006312
8-aminooctan-4-one
CID 25202394
12-amino-7-oxododecanoic acid
CID 4206597

Frequently Asked Questions

What is the IUPAC name of 10-amino-2-methyldecan-4-one?
The IUPAC name of 10-amino-2-methyldecan-4-one (CID 116551412) is 10-amino-2-methyldecan-4-one.
What is the SMILES notation for 10-amino-2-methyldecan-4-one?
The canonical SMILES for 10-amino-2-methyldecan-4-one is CC(C)CC(=O)CCCCCCN.
What is the InChIKey of 10-amino-2-methyldecan-4-one?
The InChIKey is XIVXQLNFVIYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)9-11(13)7-5-3-4-6-8-12/h10H,3-9,12H2,1-2H3.
What are the key properties of 10-amino-2-methyldecan-4-one?
10-amino-2-methyldecan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2-methyldecan-4-one is sourced from PubChem (CID 116551412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).