1-amino-5-methylheptan-3-one

C8H17NO — CID 116550680

IUPAC1-amino-5-methylheptan-3-one
SMILESCCC(C)CC(=O)CCN
InChIInChI=1S/C8H17NO/c1-3-7(2)6-8(10)4-5-9/h7H,3-6,9H2,1-2H3
InChIKeyYBLUARNNCVHIMG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.34
Rot. Bonds5

About 1-amino-5-methylheptan-3-one

1-amino-5-methylheptan-3-one (PubChem CID 116550680) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-amino-5-methylheptan-3-one.

Molecular Properties

Compound Name1-amino-5-methylheptan-3-one
PubChem CID116550680
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-amino-5-methylheptan-3-one
SMILESCCC(C)CC(=O)CCN
InChIInChI=1S/C8H17NO/c1-3-7(2)6-8(10)4-5-9/h7H,3-6,9H2,1-2H3
InChIKeyYBLUARNNCVHIMG-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylheptan-3-one?
The IUPAC name of 1-amino-5-methylheptan-3-one (CID 116550680) is 1-amino-5-methylheptan-3-one.
What is the SMILES notation for 1-amino-5-methylheptan-3-one?
The canonical SMILES for 1-amino-5-methylheptan-3-one is CCC(C)CC(=O)CCN.
What is the InChIKey of 1-amino-5-methylheptan-3-one?
The InChIKey is YBLUARNNCVHIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7(2)6-8(10)4-5-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-amino-5-methylheptan-3-one?
1-amino-5-methylheptan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylheptan-3-one is sourced from PubChem (CID 116550680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).