5-amino-8-methoxy-2-methyloct-1-en-4-one

C10H19NO2 — CID 116593842

IUPAC5-amino-8-methoxy-2-methyloct-1-en-4-one
SMILESC=C(C)CC(=O)C(N)CCCOC
InChIInChI=1S/C10H19NO2/c1-8(2)7-10(12)9(11)5-4-6-13-3/h9H,1,4-7,11H2,2-3H3
InChIKeyBPMNNVHWOXWQBB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds7

About 5-amino-8-methoxy-2-methyloct-1-en-4-one

5-amino-8-methoxy-2-methyloct-1-en-4-one (PubChem CID 116593842) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-amino-8-methoxy-2-methyloct-1-en-4-one.

Molecular Properties

Compound Name5-amino-8-methoxy-2-methyloct-1-en-4-one
PubChem CID116593842
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-amino-8-methoxy-2-methyloct-1-en-4-one
SMILESC=C(C)CC(=O)C(N)CCCOC
InChIInChI=1S/C10H19NO2/c1-8(2)7-10(12)9(11)5-4-6-13-3/h9H,1,4-7,11H2,2-3H3
InChIKeyBPMNNVHWOXWQBB-UHFFFAOYSA-N
XLogP1.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
2-amino-5-methoxypentanoic acid
CID 18361135
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
4-amino-1-methoxy-7-methyldecan-5-one
CID 116593750
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
CID 116593760
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
[2-(5-amino-9-methoxy-6-oxononyl)hydrazinyl]azanium
CID 159835574
4-amino-6-methoxy-2-methylhex-1-en-3-one
CID 116567275

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-2-methyloct-1-en-4-one?
The IUPAC name of 5-amino-8-methoxy-2-methyloct-1-en-4-one (CID 116593842) is 5-amino-8-methoxy-2-methyloct-1-en-4-one.
What is the SMILES notation for 5-amino-8-methoxy-2-methyloct-1-en-4-one?
The canonical SMILES for 5-amino-8-methoxy-2-methyloct-1-en-4-one is C=C(C)CC(=O)C(N)CCCOC.
What is the InChIKey of 5-amino-8-methoxy-2-methyloct-1-en-4-one?
The InChIKey is BPMNNVHWOXWQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)7-10(12)9(11)5-4-6-13-3/h9H,1,4-7,11H2,2-3H3.
What are the key properties of 5-amino-8-methoxy-2-methyloct-1-en-4-one?
5-amino-8-methoxy-2-methyloct-1-en-4-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-2-methyloct-1-en-4-one is sourced from PubChem (CID 116593842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).