2-methoxy-2-methylnon-8-yn-4-amine

C11H21NO — CID 103029312

IUPAC2-methoxy-2-methylnon-8-yn-4-amine
SMILESC#CCCCC(N)CC(C)(C)OC
InChIInChI=1S/C11H21NO/c1-5-6-7-8-10(12)9-11(2,3)13-4/h1,10H,6-9,12H2,2-4H3
InChIKeyYNZOGJKOFHAJLT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds6

About 2-methoxy-2-methylnon-8-yn-4-amine

2-methoxy-2-methylnon-8-yn-4-amine (PubChem CID 103029312) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methoxy-2-methylnon-8-yn-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methylnon-8-yn-4-amine
PubChem CID103029312
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methoxy-2-methylnon-8-yn-4-amine
SMILESC#CCCCC(N)CC(C)(C)OC
InChIInChI=1S/C11H21NO/c1-5-6-7-8-10(12)9-11(2,3)13-4/h1,10H,6-9,12H2,2-4H3
InChIKeyYNZOGJKOFHAJLT-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-methylnon-8-yn-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylnon-8-yn-4-amine?
The IUPAC name of 2-methoxy-2-methylnon-8-yn-4-amine (CID 103029312) is 2-methoxy-2-methylnon-8-yn-4-amine.
What is the SMILES notation for 2-methoxy-2-methylnon-8-yn-4-amine?
The canonical SMILES for 2-methoxy-2-methylnon-8-yn-4-amine is C#CCCCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylnon-8-yn-4-amine?
The InChIKey is YNZOGJKOFHAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-8-10(12)9-11(2,3)13-4/h1,10H,6-9,12H2,2-4H3.
What are the key properties of 2-methoxy-2-methylnon-8-yn-4-amine?
2-methoxy-2-methylnon-8-yn-4-amine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylnon-8-yn-4-amine is sourced from PubChem (CID 103029312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).