3-amino-4-methyldecan-2-one

C11H23NO — CID 129258586

IUPAC3-amino-4-methyldecan-2-one
SMILESCCCCCCC(C)C(N)C(C)=O
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9(2)11(12)10(3)13/h9,11H,4-8,12H2,1-3H3
InChIKeyHRLMXVLAUUUKCO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds7

About 3-amino-4-methyldecan-2-one

3-amino-4-methyldecan-2-one (PubChem CID 129258586) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-amino-4-methyldecan-2-one.

Molecular Properties

Compound Name3-amino-4-methyldecan-2-one
PubChem CID129258586
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-amino-4-methyldecan-2-one
SMILESCCCCCCC(C)C(N)C(C)=O
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9(2)11(12)10(3)13/h9,11H,4-8,12H2,1-3H3
InChIKeyHRLMXVLAUUUKCO-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyldecan-2-one?
The IUPAC name of 3-amino-4-methyldecan-2-one (CID 129258586) is 3-amino-4-methyldecan-2-one.
What is the SMILES notation for 3-amino-4-methyldecan-2-one?
The canonical SMILES for 3-amino-4-methyldecan-2-one is CCCCCCC(C)C(N)C(C)=O.
What is the InChIKey of 3-amino-4-methyldecan-2-one?
The InChIKey is HRLMXVLAUUUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-7-8-9(2)11(12)10(3)13/h9,11H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-4-methyldecan-2-one?
3-amino-4-methyldecan-2-one has a molecular weight of 185.31 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 3-amino-4-methyldecan-2-one is sourced from PubChem (CID 129258586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).