(5S)-5-methyl-7-(methylamino)heptan-2-one

C9H19NO — CID 89328211

IUPAC(5S)-5-methyl-7-(methylamino)heptan-2-one
SMILESCNCC[C@@H](C)CCC(C)=O
InChIInChI=1S/C9H19NO/c1-8(6-7-10-3)4-5-9(2)11/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyAAAGSAKRHMIKDC-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds6

About (5S)-5-methyl-7-(methylamino)heptan-2-one

(5S)-5-methyl-7-(methylamino)heptan-2-one (PubChem CID 89328211) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (5S)-5-methyl-7-(methylamino)heptan-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-7-(methylamino)heptan-2-one
PubChem CID89328211
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(5S)-5-methyl-7-(methylamino)heptan-2-one
SMILESCNCC[C@@H](C)CCC(C)=O
InChIInChI=1S/C9H19NO/c1-8(6-7-10-3)4-5-9(2)11/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyAAAGSAKRHMIKDC-QMMMGPOBSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-[[1-[[1-(2,7-dioxooctan-4-ylamino)-6-(methylamino)-1-oxohexan-3-yl]amino]-6-(methylamino)-1-oxohexan-3-yl]amino]-6-(methylamino)-1-oxohexan-3-yl]-3-methyl-6-(methylamino)hexanamide
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N,N',2-trimethylbutane-1,4-diamine
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13-(methylamino)tridecan-2-one
CID 23382037
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-7-(methylamino)heptan-2-one?
The IUPAC name of (5S)-5-methyl-7-(methylamino)heptan-2-one (CID 89328211) is (5S)-5-methyl-7-(methylamino)heptan-2-one.
What is the SMILES notation for (5S)-5-methyl-7-(methylamino)heptan-2-one?
The canonical SMILES for (5S)-5-methyl-7-(methylamino)heptan-2-one is CNCC[C@@H](C)CCC(C)=O.
What is the InChIKey of (5S)-5-methyl-7-(methylamino)heptan-2-one?
The InChIKey is AAAGSAKRHMIKDC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(6-7-10-3)4-5-9(2)11/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (5S)-5-methyl-7-(methylamino)heptan-2-one?
(5S)-5-methyl-7-(methylamino)heptan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-7-(methylamino)heptan-2-one is sourced from PubChem (CID 89328211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).