2-methoxy-2-methyloct-7-yn-4-amine

C10H19NO — CID 103027208

IUPAC2-methoxy-2-methyloct-7-yn-4-amine
SMILESC#CCCC(N)CC(C)(C)OC
InChIInChI=1S/C10H19NO/c1-5-6-7-9(11)8-10(2,3)12-4/h1,9H,6-8,11H2,2-4H3
InChIKeyDTCIRIBMSMUKAL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.54
Rot. Bonds5

About 2-methoxy-2-methyloct-7-yn-4-amine

2-methoxy-2-methyloct-7-yn-4-amine (PubChem CID 103027208) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methoxy-2-methyloct-7-yn-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyloct-7-yn-4-amine
PubChem CID103027208
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methoxy-2-methyloct-7-yn-4-amine
SMILESC#CCCC(N)CC(C)(C)OC
InChIInChI=1S/C10H19NO/c1-5-6-7-9(11)8-10(2,3)12-4/h1,9H,6-8,11H2,2-4H3
InChIKeyDTCIRIBMSMUKAL-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.54
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-methyloct-7-yn-4-amine?
The IUPAC name of 2-methoxy-2-methyloct-7-yn-4-amine (CID 103027208) is 2-methoxy-2-methyloct-7-yn-4-amine.
What is the SMILES notation for 2-methoxy-2-methyloct-7-yn-4-amine?
The canonical SMILES for 2-methoxy-2-methyloct-7-yn-4-amine is C#CCCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyloct-7-yn-4-amine?
The InChIKey is DTCIRIBMSMUKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-7-9(11)8-10(2,3)12-4/h1,9H,6-8,11H2,2-4H3.
What are the key properties of 2-methoxy-2-methyloct-7-yn-4-amine?
2-methoxy-2-methyloct-7-yn-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyloct-7-yn-4-amine is sourced from PubChem (CID 103027208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).