3-amino-1-methoxy-4-methylhexan-2-one

C8H17NO2 — CID 116552707

IUPAC3-amino-1-methoxy-4-methylhexan-2-one
SMILESCCC(C)C(N)C(=O)COC
InChIInChI=1S/C8H17NO2/c1-4-6(2)8(9)7(10)5-11-3/h6,8H,4-5,9H2,1-3H3
InChIKeyCZIMCPOTMHJJCU-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-1-methoxy-4-methylhexan-2-one

3-amino-1-methoxy-4-methylhexan-2-one (PubChem CID 116552707) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-amino-1-methoxy-4-methylhexan-2-one.

Molecular Properties

Compound Name3-amino-1-methoxy-4-methylhexan-2-one
PubChem CID116552707
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-amino-1-methoxy-4-methylhexan-2-one
SMILESCCC(C)C(N)C(=O)COC
InChIInChI=1S/C8H17NO2/c1-4-6(2)8(9)7(10)5-11-3/h6,8H,4-5,9H2,1-3H3
InChIKeyCZIMCPOTMHJJCU-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,7-dimethylnonan-5-one
CID 116552681
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
4-amino-1-ethylsulfonyl-5-methylheptan-3-one
CID 106736165

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methoxy-4-methylhexan-2-one?
The IUPAC name of 3-amino-1-methoxy-4-methylhexan-2-one (CID 116552707) is 3-amino-1-methoxy-4-methylhexan-2-one.
What is the SMILES notation for 3-amino-1-methoxy-4-methylhexan-2-one?
The canonical SMILES for 3-amino-1-methoxy-4-methylhexan-2-one is CCC(C)C(N)C(=O)COC.
What is the InChIKey of 3-amino-1-methoxy-4-methylhexan-2-one?
The InChIKey is CZIMCPOTMHJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6(2)8(9)7(10)5-11-3/h6,8H,4-5,9H2,1-3H3.
What are the key properties of 3-amino-1-methoxy-4-methylhexan-2-one?
3-amino-1-methoxy-4-methylhexan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methoxy-4-methylhexan-2-one is sourced from PubChem (CID 116552707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).