1-(dimethylamino)heptan-3-one

C9H19NO — CID 18322699

IUPAC1-(dimethylamino)heptan-3-one
SMILESCCCCC(=O)CCN(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-9(11)7-8-10(2)3/h4-8H2,1-3H3
InChIKeyHACMLMSUQWGURC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds6

About 1-(dimethylamino)heptan-3-one

1-(dimethylamino)heptan-3-one (PubChem CID 18322699) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(dimethylamino)heptan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)heptan-3-one
PubChem CID18322699
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(dimethylamino)heptan-3-one
SMILESCCCCC(=O)CCN(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-9(11)7-8-10(2)3/h4-8H2,1-3H3
InChIKeyHACMLMSUQWGURC-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)nonan-3-one
CID 115345762
1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865
1-(diethylamino)heptan-3-one
CID 21485652
1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
1-(dimethylamino)-6-methylsulfonylhexan-3-one
CID 115345724
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
1-(dimethylamino)-11-hexylheptadecan-6-one
CID 170053331
1-[3-[bis[3-[bis[6-(dimethylamino)-3-oxohexyl]amino]propyl]amino]propyl-[6-(dimethylamino)-3-oxohexyl]amino]-6-(dimethylamino)hexan-3-one
CID 165064162
1-[2-(2-hydroxyethylamino)ethyl-(3-oxoheptyl)amino]heptan-3-one
CID 58040518

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)heptan-3-one?
The IUPAC name of 1-(dimethylamino)heptan-3-one (CID 18322699) is 1-(dimethylamino)heptan-3-one.
What is the SMILES notation for 1-(dimethylamino)heptan-3-one?
The canonical SMILES for 1-(dimethylamino)heptan-3-one is CCCCC(=O)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)heptan-3-one?
The InChIKey is HACMLMSUQWGURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-9(11)7-8-10(2)3/h4-8H2,1-3H3.
What are the key properties of 1-(dimethylamino)heptan-3-one?
1-(dimethylamino)heptan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)heptan-3-one is sourced from PubChem (CID 18322699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).