(3S)-6-amino-3-(methylamino)hexan-2-one

C7H16N2O — CID 59098893

IUPAC(3S)-6-amino-3-(methylamino)hexan-2-one
SMILESCN[C@@H](CCCN)C(C)=O
InChIInChI=1S/C7H16N2O/c1-6(10)7(9-2)4-3-5-8/h7,9H,3-5,8H2,1-2H3/t7-/m0/s1
InChIKeyNBOBIQGPNXKKKD-ZETCQYMHSA-N
MW144.22 g/mol
LogP-0.10
Rot. Bonds5

About (3S)-6-amino-3-(methylamino)hexan-2-one

(3S)-6-amino-3-(methylamino)hexan-2-one (PubChem CID 59098893) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3S)-6-amino-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(3S)-6-amino-3-(methylamino)hexan-2-one
PubChem CID59098893
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3S)-6-amino-3-(methylamino)hexan-2-one
SMILESCN[C@@H](CCCN)C(C)=O
InChIInChI=1S/C7H16N2O/c1-6(10)7(9-2)4-3-5-8/h7,9H,3-5,8H2,1-2H3/t7-/m0/s1
InChIKeyNBOBIQGPNXKKKD-ZETCQYMHSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
CID 171042672
CID 171042672
CID 162056062
CID 162056062
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
3-(methylamino)nonan-2-one
CID 21024660
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243

Frequently Asked Questions

What is the IUPAC name of (3S)-6-amino-3-(methylamino)hexan-2-one?
The IUPAC name of (3S)-6-amino-3-(methylamino)hexan-2-one (CID 59098893) is (3S)-6-amino-3-(methylamino)hexan-2-one.
What is the SMILES notation for (3S)-6-amino-3-(methylamino)hexan-2-one?
The canonical SMILES for (3S)-6-amino-3-(methylamino)hexan-2-one is CN[C@@H](CCCN)C(C)=O.
What is the InChIKey of (3S)-6-amino-3-(methylamino)hexan-2-one?
The InChIKey is NBOBIQGPNXKKKD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(10)7(9-2)4-3-5-8/h7,9H,3-5,8H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-6-amino-3-(methylamino)hexan-2-one?
(3S)-6-amino-3-(methylamino)hexan-2-one has a molecular weight of 144.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-amino-3-(methylamino)hexan-2-one is sourced from PubChem (CID 59098893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).