4-amino-6,6-dimethyl-5-methylideneheptan-2-one

C10H19NO — CID 170272332

IUPAC4-amino-6,6-dimethyl-5-methylideneheptan-2-one
SMILESC=C(C(N)CC(C)=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-7(12)6-9(11)8(2)10(3,4)5/h9H,2,6,11H2,1,3-5H3
InChIKeyNYPIUMRUEQMVNB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds3

About 4-amino-6,6-dimethyl-5-methylideneheptan-2-one

4-amino-6,6-dimethyl-5-methylideneheptan-2-one (PubChem CID 170272332) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-amino-6,6-dimethyl-5-methylideneheptan-2-one.

Molecular Properties

Compound Name4-amino-6,6-dimethyl-5-methylideneheptan-2-one
PubChem CID170272332
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-amino-6,6-dimethyl-5-methylideneheptan-2-one
SMILESC=C(C(N)CC(C)=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-7(12)6-9(11)8(2)10(3,4)5/h9H,2,6,11H2,1,3-5H3
InChIKeyNYPIUMRUEQMVNB-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,6-dimethyl-5-methylideneheptan-2-one?
The IUPAC name of 4-amino-6,6-dimethyl-5-methylideneheptan-2-one (CID 170272332) is 4-amino-6,6-dimethyl-5-methylideneheptan-2-one.
What is the SMILES notation for 4-amino-6,6-dimethyl-5-methylideneheptan-2-one?
The canonical SMILES for 4-amino-6,6-dimethyl-5-methylideneheptan-2-one is C=C(C(N)CC(C)=O)C(C)(C)C.
What is the InChIKey of 4-amino-6,6-dimethyl-5-methylideneheptan-2-one?
The InChIKey is NYPIUMRUEQMVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(12)6-9(11)8(2)10(3,4)5/h9H,2,6,11H2,1,3-5H3.
What are the key properties of 4-amino-6,6-dimethyl-5-methylideneheptan-2-one?
4-amino-6,6-dimethyl-5-methylideneheptan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,6-dimethyl-5-methylideneheptan-2-one is sourced from PubChem (CID 170272332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).