3-aminoheptan-4-one

C7H15NO — CID 10558651

IUPAC3-aminoheptan-4-one
SMILESCCCC(=O)C(N)CC
InChIInChI=1S/C7H15NO/c1-3-5-7(9)6(8)4-2/h6H,3-5,8H2,1-2H3
InChIKeyQOTPAJSOTBKLAP-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.09
Rot. Bonds4

About 3-aminoheptan-4-one

3-aminoheptan-4-one (PubChem CID 10558651) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-aminoheptan-4-one.

Molecular Properties

Compound Name3-aminoheptan-4-one
PubChem CID10558651
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-aminoheptan-4-one
SMILESCCCC(=O)C(N)CC
InChIInChI=1S/C7H15NO/c1-3-5-7(9)6(8)4-2/h6H,3-5,8H2,1-2H3
InChIKeyQOTPAJSOTBKLAP-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 3-aminoheptan-4-one?
The IUPAC name of 3-aminoheptan-4-one (CID 10558651) is 3-aminoheptan-4-one.
What is the SMILES notation for 3-aminoheptan-4-one?
The canonical SMILES for 3-aminoheptan-4-one is CCCC(=O)C(N)CC.
What is the InChIKey of 3-aminoheptan-4-one?
The InChIKey is QOTPAJSOTBKLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-7(9)6(8)4-2/h6H,3-5,8H2,1-2H3.
What are the key properties of 3-aminoheptan-4-one?
3-aminoheptan-4-one has a molecular weight of 129.20 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoheptan-4-one is sourced from PubChem (CID 10558651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).