4-(aminomethyl)hexan-3-one

C7H15NO — CID 116575003

IUPAC4-(aminomethyl)hexan-3-one
SMILESCCC(=O)C(CC)CN
InChIInChI=1S/C7H15NO/c1-3-6(5-8)7(9)4-2/h6H,3-5,8H2,1-2H3
InChIKeyDVCRHWPOXYPEJH-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds4

About 4-(aminomethyl)hexan-3-one

4-(aminomethyl)hexan-3-one (PubChem CID 116575003) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-(aminomethyl)hexan-3-one.

Molecular Properties

Compound Name4-(aminomethyl)hexan-3-one
PubChem CID116575003
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-(aminomethyl)hexan-3-one
SMILESCCC(=O)C(CC)CN
InChIInChI=1S/C7H15NO/c1-3-6(5-8)7(9)4-2/h6H,3-5,8H2,1-2H3
InChIKeyDVCRHWPOXYPEJH-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)hexan-3-one?
The IUPAC name of 4-(aminomethyl)hexan-3-one (CID 116575003) is 4-(aminomethyl)hexan-3-one.
What is the SMILES notation for 4-(aminomethyl)hexan-3-one?
The canonical SMILES for 4-(aminomethyl)hexan-3-one is CCC(=O)C(CC)CN.
What is the InChIKey of 4-(aminomethyl)hexan-3-one?
The InChIKey is DVCRHWPOXYPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6(5-8)7(9)4-2/h6H,3-5,8H2,1-2H3.
What are the key properties of 4-(aminomethyl)hexan-3-one?
4-(aminomethyl)hexan-3-one has a molecular weight of 129.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)hexan-3-one is sourced from PubChem (CID 116575003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).