5-methoxy-N-methylhept-1-yn-4-amine

C9H17NO — CID 116715372

IUPAC5-methoxy-N-methylhept-1-yn-4-amine
SMILESC#CCC(NC)C(CC)OC
InChIInChI=1S/C9H17NO/c1-5-7-8(10-3)9(6-2)11-4/h1,8-10H,6-7H2,2-4H3
InChIKeyFIUGZNNQKKFQIZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds5

About 5-methoxy-N-methylhept-1-yn-4-amine

5-methoxy-N-methylhept-1-yn-4-amine (PubChem CID 116715372) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-methoxy-N-methylhept-1-yn-4-amine.

Molecular Properties

Compound Name5-methoxy-N-methylhept-1-yn-4-amine
PubChem CID116715372
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-methoxy-N-methylhept-1-yn-4-amine
SMILESC#CCC(NC)C(CC)OC
InChIInChI=1S/C9H17NO/c1-5-7-8(10-3)9(6-2)11-4/h1,8-10H,6-7H2,2-4H3
InChIKeyFIUGZNNQKKFQIZ-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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 5-methoxy-N-methylhept-1-yn-4-amine?
The IUPAC name of 5-methoxy-N-methylhept-1-yn-4-amine (CID 116715372) is 5-methoxy-N-methylhept-1-yn-4-amine.
What is the SMILES notation for 5-methoxy-N-methylhept-1-yn-4-amine?
The canonical SMILES for 5-methoxy-N-methylhept-1-yn-4-amine is C#CCC(NC)C(CC)OC.
What is the InChIKey of 5-methoxy-N-methylhept-1-yn-4-amine?
The InChIKey is FIUGZNNQKKFQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-8(10-3)9(6-2)11-4/h1,8-10H,6-7H2,2-4H3.
What are the key properties of 5-methoxy-N-methylhept-1-yn-4-amine?
5-methoxy-N-methylhept-1-yn-4-amine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methylhept-1-yn-4-amine is sourced from PubChem (CID 116715372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).