1-aminoheptan-3-one

C7H15NO — CID 54543281

IUPAC1-aminoheptan-3-one
SMILESCCCCC(=O)CCN
InChIInChI=1S/C7H15NO/c1-2-3-4-7(9)5-6-8/h2-6,8H2,1H3
InChIKeyACSMPVVIZHGICK-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.09
Rot. Bonds5

About 1-aminoheptan-3-one

1-aminoheptan-3-one (PubChem CID 54543281) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-aminoheptan-3-one.

Molecular Properties

Compound Name1-aminoheptan-3-one
PubChem CID54543281
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-aminoheptan-3-one
SMILESCCCCC(=O)CCN
InChIInChI=1S/C7H15NO/c1-2-3-4-7(9)5-6-8/h2-6,8H2,1H3
InChIKeyACSMPVVIZHGICK-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminoheptan-3-one?
The IUPAC name of 1-aminoheptan-3-one (CID 54543281) is 1-aminoheptan-3-one.
What is the SMILES notation for 1-aminoheptan-3-one?
The canonical SMILES for 1-aminoheptan-3-one is CCCCC(=O)CCN.
What is the InChIKey of 1-aminoheptan-3-one?
The InChIKey is ACSMPVVIZHGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-4-7(9)5-6-8/h2-6,8H2,1H3.
What are the key properties of 1-aminoheptan-3-one?
1-aminoheptan-3-one has a molecular weight of 129.20 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoheptan-3-one is sourced from PubChem (CID 54543281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).