5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one

C10H19NO — CID 134344154

IUPAC5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one
SMILESC=C(C(=O)C(C)(C)C)C(C)(C)N
InChIInChI=1S/C10H19NO/c1-7(10(5,6)11)8(12)9(2,3)4/h1,11H2,2-6H3
InChIKeyALBYCDJAPPQFQZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds2

About 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one

5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one (PubChem CID 134344154) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one.

Molecular Properties

Compound Name5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one
PubChem CID134344154
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one
SMILESC=C(C(=O)C(C)(C)C)C(C)(C)N
InChIInChI=1S/C10H19NO/c1-7(10(5,6)11)8(12)9(2,3)4/h1,11H2,2-6H3
InChIKeyALBYCDJAPPQFQZ-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methylpropanethioic S-acid;hydrochloride
CID 135147542
3-amino-3-methylbutan-2-one
CID 4913006
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
2-amino-2,4,4-trimethylpentan-3-one;methane
CID 170638842
3,3-dimethyl-2-oxobutanethioamide
CID 55281964
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide
CID 175902807
bis(3,3-dimethyl-2-methylidenebutanoate);iron(2+)
CID 175333497
2-amino-3-hydroxy-2-methylbut-3-enoic acid
CID 155265357
3,3-dimethylbut-1-en-2-amine
CID 15393104
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
(2-amino-3-oxopent-4-en-2-yl)phosphonic acid
CID 150100333

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one?
The IUPAC name of 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one (CID 134344154) is 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one.
What is the SMILES notation for 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one?
The canonical SMILES for 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one is C=C(C(=O)C(C)(C)C)C(C)(C)N.
What is the InChIKey of 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one?
The InChIKey is ALBYCDJAPPQFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(10(5,6)11)8(12)9(2,3)4/h1,11H2,2-6H3.
What are the key properties of 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one?
5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one is sourced from PubChem (CID 134344154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).