3-amino-3-methylnonan-4-one

C10H21NO — CID 116590428

IUPAC3-amino-3-methylnonan-4-one
SMILESCCCCCC(=O)C(C)(N)CC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-9(12)10(3,11)5-2/h4-8,11H2,1-3H3
InChIKeyJDTGKWUWLDOVRM-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.26
Rot. Bonds6

About 3-amino-3-methylnonan-4-one

3-amino-3-methylnonan-4-one (PubChem CID 116590428) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-amino-3-methylnonan-4-one.

Molecular Properties

Compound Name3-amino-3-methylnonan-4-one
PubChem CID116590428
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-amino-3-methylnonan-4-one
SMILESCCCCCC(=O)C(C)(N)CC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-9(12)10(3,11)5-2/h4-8,11H2,1-3H3
InChIKeyJDTGKWUWLDOVRM-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.26
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

3-amino-3-methylhexadecan-4-one
CID 116590430
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
5-amino-5-methyl-1-(methylamino)heptan-4-one
CID 145095756
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
2-amino-1,1,1-trifluoro-2-methylpentadecan-3-one
CID 116593074
3-(aminomethyl)-3-methylhexadecan-4-one
CID 116610959
2,2-dimethyl-3-oxoundecanamide
CID 139713201
3-ethoxy-3-methyltridecan-4-one
CID 116746962
3-ethyl-3-hydroxydecan-4-one
CID 103446891
2-fluoro-2-methyldecan-3-one
CID 14645302
4-amino-4-methyloctan-3-one
CID 158308473

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylnonan-4-one?
The IUPAC name of 3-amino-3-methylnonan-4-one (CID 116590428) is 3-amino-3-methylnonan-4-one.
What is the SMILES notation for 3-amino-3-methylnonan-4-one?
The canonical SMILES for 3-amino-3-methylnonan-4-one is CCCCCC(=O)C(C)(N)CC.
What is the InChIKey of 3-amino-3-methylnonan-4-one?
The InChIKey is JDTGKWUWLDOVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-7-8-9(12)10(3,11)5-2/h4-8,11H2,1-3H3.
What are the key properties of 3-amino-3-methylnonan-4-one?
3-amino-3-methylnonan-4-one has a molecular weight of 171.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylnonan-4-one is sourced from PubChem (CID 116590428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).