7-[3-(dimethylamino)propylamino]heptan-2-one

C12H26N2O — CID 14484877

IUPAC7-[3-(dimethylamino)propylamino]heptan-2-one
SMILESCC(=O)CCCCCNCCCN(C)C
InChIInChI=1S/C12H26N2O/c1-12(15)8-5-4-6-9-13-10-7-11-14(2)3/h13H,4-11H2,1-3H3
InChIKeyIDGXGMBKVHRAQC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.68
Rot. Bonds10

About 7-[3-(dimethylamino)propylamino]heptan-2-one

7-[3-(dimethylamino)propylamino]heptan-2-one (PubChem CID 14484877) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propylamino]heptan-2-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)propylamino]heptan-2-one
PubChem CID14484877
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name7-[3-(dimethylamino)propylamino]heptan-2-one
SMILESCC(=O)CCCCCNCCCN(C)C
InChIInChI=1S/C12H26N2O/c1-12(15)8-5-4-6-9-13-10-7-11-14(2)3/h13H,4-11H2,1-3H3
InChIKeyIDGXGMBKVHRAQC-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propylamino]heptan-2-one?
The IUPAC name of 7-[3-(dimethylamino)propylamino]heptan-2-one (CID 14484877) is 7-[3-(dimethylamino)propylamino]heptan-2-one.
What is the SMILES notation for 7-[3-(dimethylamino)propylamino]heptan-2-one?
The canonical SMILES for 7-[3-(dimethylamino)propylamino]heptan-2-one is CC(=O)CCCCCNCCCN(C)C.
What is the InChIKey of 7-[3-(dimethylamino)propylamino]heptan-2-one?
The InChIKey is IDGXGMBKVHRAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(15)8-5-4-6-9-13-10-7-11-14(2)3/h13H,4-11H2,1-3H3.
What are the key properties of 7-[3-(dimethylamino)propylamino]heptan-2-one?
7-[3-(dimethylamino)propylamino]heptan-2-one has a molecular weight of 214.35 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propylamino]heptan-2-one is sourced from PubChem (CID 14484877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).