8-methyl-1-(3-methylbutylamino)nonane-3,7-dione

C15H29NO2 — CID 171600874

IUPAC8-methyl-1-(3-methylbutylamino)nonane-3,7-dione
SMILESCC(C)CCNCCC(=O)CCCC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)8-10-16-11-9-14(17)6-5-7-15(18)13(3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyZTNAZWOHJNHXHY-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.98
Rot. Bonds11

About 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione

8-methyl-1-(3-methylbutylamino)nonane-3,7-dione (PubChem CID 171600874) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione.

Molecular Properties

Compound Name8-methyl-1-(3-methylbutylamino)nonane-3,7-dione
PubChem CID171600874
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-methyl-1-(3-methylbutylamino)nonane-3,7-dione
SMILESCC(C)CCNCCC(=O)CCCC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)8-10-16-11-9-14(17)6-5-7-15(18)13(3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyZTNAZWOHJNHXHY-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(piperidin-2-yl)butan-2-one
CID 79536820
2-Methyl-8-(propan-2-ylamino)octan-3-one
CID 20736426
1-[4-(Methylaminomethyl)cycloheptyl]propan-1-one
CID 57034483
1-[4-[(2-Methylpropylamino)methyl]cycloheptyl]butan-1-one
CID 57077718
(5R)-7-methyl-5-(propan-2-ylamino)octane-2,6-dione
CID 58177896
2-Methyl-6-pyrrolidin-3-ylhexan-3-one
CID 58309895
1-[(1S,2R)-2-(methylamino)cyclododecyl]ethanone
CID 58855623
2-Methyl-11-(propan-2-ylamino)undecan-3-one
CID 58895647
5-(Aminomethyl)octane-2,6-dione
CID 58903973
7-Methyl-5-(propan-2-ylamino)octane-2,6-dione
CID 59120335
2,8-Dimethyl-4-(propan-2-ylamino)nonane-3,7-dione
CID 59169145
(5R)-9-methyl-5-(propan-2-ylamino)decane-2,8-dione
CID 59349249

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione?
The IUPAC name of 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione (CID 171600874) is 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione.
What is the SMILES notation for 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione?
The canonical SMILES for 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione is CC(C)CCNCCC(=O)CCCC(=O)C(C)C.
What is the InChIKey of 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione?
The InChIKey is ZTNAZWOHJNHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)8-10-16-11-9-14(17)6-5-7-15(18)13(3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione?
8-methyl-1-(3-methylbutylamino)nonane-3,7-dione has a molecular weight of 255.40 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(3-methylbutylamino)nonane-3,7-dione is sourced from PubChem (CID 171600874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).