6-amino-2,7-dimethylnon-1-en-5-one

C11H21NO — CID 114477868

IUPAC6-amino-2,7-dimethylnon-1-en-5-one
SMILESC=C(C)CCC(=O)C(N)C(C)CC
InChIInChI=1S/C11H21NO/c1-5-9(4)11(12)10(13)7-6-8(2)3/h9,11H,2,5-7,12H2,1,3-4H3
InChIKeyJDEPHFQANZHODL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds6

About 6-amino-2,7-dimethylnon-1-en-5-one

6-amino-2,7-dimethylnon-1-en-5-one (PubChem CID 114477868) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-amino-2,7-dimethylnon-1-en-5-one.

Molecular Properties

Compound Name6-amino-2,7-dimethylnon-1-en-5-one
PubChem CID114477868
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-amino-2,7-dimethylnon-1-en-5-one
SMILESC=C(C)CCC(=O)C(N)C(C)CC
InChIInChI=1S/C11H21NO/c1-5-9(4)11(12)10(13)7-6-8(2)3/h9,11H,2,5-7,12H2,1,3-4H3
InChIKeyJDEPHFQANZHODL-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-5-(3-aminopropyl)-2,7-dimethylocta-1,7-diene-3,6-dione
CID 57037958
(4S)-4-amino-2,6-dimethylhept-1-en-3-one
CID 78358443
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one;hydrochloride
CID 87812199
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one
CID 87812200
3-Amino-2-methyl-5-methylidenenonan-4-one;hydrochloride
CID 87812202
3-Amino-2-methyl-5-methylidenenonan-4-one
CID 87812203
4-Amino-2,6-dimethylhept-1-en-3-one
CID 88247765
(10R)-10-amino-11,11-dimethyl-7-methylidenedodecan-2-one
CID 88270806
(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one
CID 88972149
(5S)-5-amino-2,6-dimethyloct-1-en-4-one
CID 89386562
5-Amino-5-cyclohexyl-3-methylidenepentan-2-one
CID 89708564
6-Amino-3,7-dimethylnon-7-en-4-one
CID 90949402

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,7-dimethylnon-1-en-5-one?
The IUPAC name of 6-amino-2,7-dimethylnon-1-en-5-one (CID 114477868) is 6-amino-2,7-dimethylnon-1-en-5-one.
What is the SMILES notation for 6-amino-2,7-dimethylnon-1-en-5-one?
The canonical SMILES for 6-amino-2,7-dimethylnon-1-en-5-one is C=C(C)CCC(=O)C(N)C(C)CC.
What is the InChIKey of 6-amino-2,7-dimethylnon-1-en-5-one?
The InChIKey is JDEPHFQANZHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-9(4)11(12)10(13)7-6-8(2)3/h9,11H,2,5-7,12H2,1,3-4H3.
What are the key properties of 6-amino-2,7-dimethylnon-1-en-5-one?
6-amino-2,7-dimethylnon-1-en-5-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,7-dimethylnon-1-en-5-one is sourced from PubChem (CID 114477868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).