5-amino-1-methoxy-3-methyloct-7-yn-4-one

C10H17NO2 — CID 116606609

IUPAC5-amino-1-methoxy-3-methyloct-7-yn-4-one
SMILESC#CCC(N)C(=O)C(C)CCOC
InChIInChI=1S/C10H17NO2/c1-4-5-9(11)10(12)8(2)6-7-13-3/h1,8-9H,5-7,11H2,2-3H3
InChIKeyVWQNXZGJOGDPGS-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.58
Rot. Bonds6

About 5-amino-1-methoxy-3-methyloct-7-yn-4-one

5-amino-1-methoxy-3-methyloct-7-yn-4-one (PubChem CID 116606609) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-amino-1-methoxy-3-methyloct-7-yn-4-one.

Molecular Properties

Compound Name5-amino-1-methoxy-3-methyloct-7-yn-4-one
PubChem CID116606609
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-amino-1-methoxy-3-methyloct-7-yn-4-one
SMILESC#CCC(N)C(=O)C(C)CCOC
InChIInChI=1S/C10H17NO2/c1-4-5-9(11)10(12)8(2)6-7-13-3/h1,8-9H,5-7,11H2,2-3H3
InChIKeyVWQNXZGJOGDPGS-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 103451528
5-hydroxy-1-methoxy-3-methyloctan-4-one
CID 103454028
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CID 63038753
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
1-(3-aminocyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116568865
2-amino-N-(2-methoxypropyl)pent-4-ynamide
CID 102694961
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
2-aminopent-4-ynoic acid;hydrochloride
CID 53229946
calcium bis(2-amino-4-methoxybutanoate)
CID 23618824
2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
CID 82786912
2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
CID 62475778

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxy-3-methyloct-7-yn-4-one?
The IUPAC name of 5-amino-1-methoxy-3-methyloct-7-yn-4-one (CID 116606609) is 5-amino-1-methoxy-3-methyloct-7-yn-4-one.
What is the SMILES notation for 5-amino-1-methoxy-3-methyloct-7-yn-4-one?
The canonical SMILES for 5-amino-1-methoxy-3-methyloct-7-yn-4-one is C#CCC(N)C(=O)C(C)CCOC.
What is the InChIKey of 5-amino-1-methoxy-3-methyloct-7-yn-4-one?
The InChIKey is VWQNXZGJOGDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-9(11)10(12)8(2)6-7-13-3/h1,8-9H,5-7,11H2,2-3H3.
What are the key properties of 5-amino-1-methoxy-3-methyloct-7-yn-4-one?
5-amino-1-methoxy-3-methyloct-7-yn-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methoxy-3-methyloct-7-yn-4-one is sourced from PubChem (CID 116606609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).