9-amino-6-methylnon-1-en-5-one

C10H19NO — CID 116613429

IUPAC9-amino-6-methylnon-1-en-5-one
SMILESC=CCCC(=O)C(C)CCCN
InChIInChI=1S/C10H19NO/c1-3-4-7-10(12)9(2)6-5-8-11/h3,9H,1,4-8,11H2,2H3
InChIKeyUFFHJLFXYJZLOU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds7

About 9-amino-6-methylnon-1-en-5-one

9-amino-6-methylnon-1-en-5-one (PubChem CID 116613429) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 9-amino-6-methylnon-1-en-5-one.

Molecular Properties

Compound Name9-amino-6-methylnon-1-en-5-one
PubChem CID116613429
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name9-amino-6-methylnon-1-en-5-one
SMILESC=CCCC(=O)C(C)CCCN
InChIInChI=1S/C10H19NO/c1-3-4-7-10(12)9(2)6-5-8-11/h3,9H,1,4-8,11H2,2H3
InChIKeyUFFHJLFXYJZLOU-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyloct-7-en-4-one
CID 114974911
iodo 2-methyldec-9-enoate
CID 87697423
ethane;1,1,1,2,2-pentafluoro-6-methyltetradec-13-en-7-one
CID 91073069
7-amino-2,4-dimethylheptan-3-one
CID 116613359
1-amino-3,8-dimethylnonan-4-one
CID 116594924
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
6-amino-3-methyl-2-oxohexanoic acid
CID 87328182
methyl (2R)-2-methylnon-8-enoate
CID 58289580
(2R)-2-methylnon-8-enoic acid
CID 129385535
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483

Frequently Asked Questions

What is the IUPAC name of 9-amino-6-methylnon-1-en-5-one?
The IUPAC name of 9-amino-6-methylnon-1-en-5-one (CID 116613429) is 9-amino-6-methylnon-1-en-5-one.
What is the SMILES notation for 9-amino-6-methylnon-1-en-5-one?
The canonical SMILES for 9-amino-6-methylnon-1-en-5-one is C=CCCC(=O)C(C)CCCN.
What is the InChIKey of 9-amino-6-methylnon-1-en-5-one?
The InChIKey is UFFHJLFXYJZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-7-10(12)9(2)6-5-8-11/h3,9H,1,4-8,11H2,2H3.
What are the key properties of 9-amino-6-methylnon-1-en-5-one?
9-amino-6-methylnon-1-en-5-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-methylnon-1-en-5-one is sourced from PubChem (CID 116613429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).