5-amino-5-methylheptan-3-one

C8H17NO — CID 21330457

IUPAC5-amino-5-methylheptan-3-one
SMILESCCC(=O)CC(C)(N)CC
InChIInChI=1S/C8H17NO/c1-4-7(10)6-8(3,9)5-2/h4-6,9H2,1-3H3
InChIKeyOHWWAANBHBQKHL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds4

About 5-amino-5-methylheptan-3-one

5-amino-5-methylheptan-3-one (PubChem CID 21330457) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-amino-5-methylheptan-3-one.

Molecular Properties

Compound Name5-amino-5-methylheptan-3-one
PubChem CID21330457
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-amino-5-methylheptan-3-one
SMILESCCC(=O)CC(C)(N)CC
InChIInChI=1S/C8H17NO/c1-4-7(10)6-8(3,9)5-2/h4-6,9H2,1-3H3
InChIKeyOHWWAANBHBQKHL-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methylheptan-3-one?
The IUPAC name of 5-amino-5-methylheptan-3-one (CID 21330457) is 5-amino-5-methylheptan-3-one.
What is the SMILES notation for 5-amino-5-methylheptan-3-one?
The canonical SMILES for 5-amino-5-methylheptan-3-one is CCC(=O)CC(C)(N)CC.
What is the InChIKey of 5-amino-5-methylheptan-3-one?
The InChIKey is OHWWAANBHBQKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(10)6-8(3,9)5-2/h4-6,9H2,1-3H3.
What are the key properties of 5-amino-5-methylheptan-3-one?
5-amino-5-methylheptan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methylheptan-3-one is sourced from PubChem (CID 21330457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).