8-methyl-1-(methylamino)nonan-4-one

C11H23NO — CID 116555639

IUPAC8-methyl-1-(methylamino)nonan-4-one
SMILESCNCCCC(=O)CCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-4-7-11(13)8-5-9-12-3/h10,12H,4-9H2,1-3H3
InChIKeyJRNFFWFDJIJPAH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds8

About 8-methyl-1-(methylamino)nonan-4-one

8-methyl-1-(methylamino)nonan-4-one (PubChem CID 116555639) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 8-methyl-1-(methylamino)nonan-4-one.

Molecular Properties

Compound Name8-methyl-1-(methylamino)nonan-4-one
PubChem CID116555639
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name8-methyl-1-(methylamino)nonan-4-one
SMILESCNCCCC(=O)CCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-4-7-11(13)8-5-9-12-3/h10,12H,4-9H2,1-3H3
InChIKeyJRNFFWFDJIJPAH-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
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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Related Compounds

2,16-dimethylheptadecan-6-one
CID 158111781
1-hydroxy-8-methylnonan-4-one
CID 87402189
2-methylundecan-6-one
CID 86122551
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
ethane;7-methyloctan-3-one
CID 142816942
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
N,5-dimethylhexan-1-amine;ethane
CID 142540507
1-amino-3,3,10-trimethylundecan-6-one
CID 116574855
35-methylhexatriacontan-18-one
CID 154265958
14-methylpentadecane-2,8-dione
CID 159096890
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
2,10-dihydroxyundecan-6-one
CID 56979503

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(methylamino)nonan-4-one?
The IUPAC name of 8-methyl-1-(methylamino)nonan-4-one (CID 116555639) is 8-methyl-1-(methylamino)nonan-4-one.
What is the SMILES notation for 8-methyl-1-(methylamino)nonan-4-one?
The canonical SMILES for 8-methyl-1-(methylamino)nonan-4-one is CNCCCC(=O)CCCC(C)C.
What is the InChIKey of 8-methyl-1-(methylamino)nonan-4-one?
The InChIKey is JRNFFWFDJIJPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-4-7-11(13)8-5-9-12-3/h10,12H,4-9H2,1-3H3.
What are the key properties of 8-methyl-1-(methylamino)nonan-4-one?
8-methyl-1-(methylamino)nonan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(methylamino)nonan-4-one is sourced from PubChem (CID 116555639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).