6-amino-2-methyldecan-5-one

C11H23NO — CID 116556613

IUPAC6-amino-2-methyldecan-5-one
SMILESCCCCC(N)C(=O)CCC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-10(12)11(13)8-7-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyCOXGRVJWKSYWIU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds7

About 6-amino-2-methyldecan-5-one

6-amino-2-methyldecan-5-one (PubChem CID 116556613) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-amino-2-methyldecan-5-one.

Molecular Properties

Compound Name6-amino-2-methyldecan-5-one
PubChem CID116556613
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-amino-2-methyldecan-5-one
SMILESCCCCC(N)C(=O)CCC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-10(12)11(13)8-7-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyCOXGRVJWKSYWIU-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyldecan-5-one?
The IUPAC name of 6-amino-2-methyldecan-5-one (CID 116556613) is 6-amino-2-methyldecan-5-one.
What is the SMILES notation for 6-amino-2-methyldecan-5-one?
The canonical SMILES for 6-amino-2-methyldecan-5-one is CCCCC(N)C(=O)CCC(C)C.
What is the InChIKey of 6-amino-2-methyldecan-5-one?
The InChIKey is COXGRVJWKSYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-10(12)11(13)8-7-9(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 6-amino-2-methyldecan-5-one?
6-amino-2-methyldecan-5-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 6-amino-2-methyldecan-5-one is sourced from PubChem (CID 116556613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).