6-[3-(dimethylamino)propyl-methylamino]hexan-2-one

C12H26N2O — CID 63700931

IUPAC6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
SMILESCC(=O)CCCCN(C)CCCN(C)C
InChIInChI=1S/C12H26N2O/c1-12(15)8-5-6-10-14(4)11-7-9-13(2)3/h5-11H2,1-4H3
InChIKeyAPLBVYRVBAIDDV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.63
Rot. Bonds9

About 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one

6-[3-(dimethylamino)propyl-methylamino]hexan-2-one (PubChem CID 63700931) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
PubChem CID63700931
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
SMILESCC(=O)CCCCN(C)CCCN(C)C
InChIInChI=1S/C12H26N2O/c1-12(15)8-5-6-10-14(4)11-7-9-13(2)3/h5-11H2,1-4H3
InChIKeyAPLBVYRVBAIDDV-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
4-[methyl(pentyl)amino]butan-2-one
CID 23332894
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
7-[methoxymethyl(methyl)amino]heptan-2-one
CID 164746042
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid
CID 165011918
N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-N-methylhydroxylamine
CID 176937078
7-(dimethylamino)-N-[3-[ethyl(methyl)amino]propyl]-N-methylheptanamide
CID 168959154
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
CID 55225987

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one (CID 63700931) is 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one is CC(=O)CCCCN(C)CCCN(C)C.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one?
The InChIKey is APLBVYRVBAIDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(15)8-5-6-10-14(4)11-7-9-13(2)3/h5-11H2,1-4H3.
What are the key properties of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one?
6-[3-(dimethylamino)propyl-methylamino]hexan-2-one has a molecular weight of 214.35 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylamino]hexan-2-one is sourced from PubChem (CID 63700931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).