2-methoxy-2-methylhept-6-yn-3-amine

C9H17NO — CID 79198002

IUPAC2-methoxy-2-methylhept-6-yn-3-amine
SMILESC#CCCC(N)C(C)(C)OC
InChIInChI=1S/C9H17NO/c1-5-6-7-8(10)9(2,3)11-4/h1,8H,6-7,10H2,2-4H3
InChIKeyXAIVGWGWOKVHSJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds4

About 2-methoxy-2-methylhept-6-yn-3-amine

2-methoxy-2-methylhept-6-yn-3-amine (PubChem CID 79198002) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methoxy-2-methylhept-6-yn-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methylhept-6-yn-3-amine
PubChem CID79198002
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methoxy-2-methylhept-6-yn-3-amine
SMILESC#CCCC(N)C(C)(C)OC
InChIInChI=1S/C9H17NO/c1-5-6-7-8(10)9(2,3)11-4/h1,8H,6-7,10H2,2-4H3
InChIKeyXAIVGWGWOKVHSJ-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylhept-6-yn-3-amine?
The IUPAC name of 2-methoxy-2-methylhept-6-yn-3-amine (CID 79198002) is 2-methoxy-2-methylhept-6-yn-3-amine.
What is the SMILES notation for 2-methoxy-2-methylhept-6-yn-3-amine?
The canonical SMILES for 2-methoxy-2-methylhept-6-yn-3-amine is C#CCCC(N)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylhept-6-yn-3-amine?
The InChIKey is XAIVGWGWOKVHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-7-8(10)9(2,3)11-4/h1,8H,6-7,10H2,2-4H3.
What are the key properties of 2-methoxy-2-methylhept-6-yn-3-amine?
2-methoxy-2-methylhept-6-yn-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylhept-6-yn-3-amine is sourced from PubChem (CID 79198002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).