3-amino-2-methylnon-8-en-4-one

C10H19NO — CID 116549029

IUPAC3-amino-2-methylnon-8-en-4-one
SMILESC=CCCCC(=O)C(N)C(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-9(12)10(11)8(2)3/h4,8,10H,1,5-7,11H2,2-3H3
InChIKeyFZILLNSVQABWKZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds6

About 3-amino-2-methylnon-8-en-4-one

3-amino-2-methylnon-8-en-4-one (PubChem CID 116549029) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-2-methylnon-8-en-4-one.

Molecular Properties

Compound Name3-amino-2-methylnon-8-en-4-one
PubChem CID116549029
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-2-methylnon-8-en-4-one
SMILESC=CCCCC(=O)C(N)C(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-9(12)10(11)8(2)3/h4,8,10H,1,5-7,11H2,2-3H3
InChIKeyFZILLNSVQABWKZ-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-2,7-dimethyloct-7-en-4-one
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1,1-dimethoxyhept-6-en-2-one
CID 79492734
sodium;hydride;undec-10-enyl (2S)-2-amino-3-methylbutanoate
CID 173314376
(3S)-3-amino-2-methylheptan-4-one
CID 88971560
3-amino-2-methylnon-8-yn-4-one
CID 116548980
(2S)-2-amino-3-methylbutanoic acid;but-3-en-1-ol
CID 159804103
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
3-amino-2-methylheptan-4-one;hydrochloride
CID 163199356
3-ethyl-4-hydroxydec-9-en-5-one
CID 103458359
2,3-dimethyloct-7-en-4-one
CID 114974911

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylnon-8-en-4-one?
The IUPAC name of 3-amino-2-methylnon-8-en-4-one (CID 116549029) is 3-amino-2-methylnon-8-en-4-one.
What is the SMILES notation for 3-amino-2-methylnon-8-en-4-one?
The canonical SMILES for 3-amino-2-methylnon-8-en-4-one is C=CCCCC(=O)C(N)C(C)C.
What is the InChIKey of 3-amino-2-methylnon-8-en-4-one?
The InChIKey is FZILLNSVQABWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-9(12)10(11)8(2)3/h4,8,10H,1,5-7,11H2,2-3H3.
What are the key properties of 3-amino-2-methylnon-8-en-4-one?
3-amino-2-methylnon-8-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylnon-8-en-4-one is sourced from PubChem (CID 116549029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).