2-methoxy-N-methylhex-5-yn-3-amine

C8H15NO — CID 79616094

IUPAC2-methoxy-N-methylhex-5-yn-3-amine
SMILESC#CCC(NC)C(C)OC
InChIInChI=1S/C8H15NO/c1-5-6-8(9-3)7(2)10-4/h1,7-9H,6H2,2-4H3
InChIKeySDLHJVNIKJEGBQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds4

About 2-methoxy-N-methylhex-5-yn-3-amine

2-methoxy-N-methylhex-5-yn-3-amine (PubChem CID 79616094) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methoxy-N-methylhex-5-yn-3-amine.

Molecular Properties

Compound Name2-methoxy-N-methylhex-5-yn-3-amine
PubChem CID79616094
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methoxy-N-methylhex-5-yn-3-amine
SMILESC#CCC(NC)C(C)OC
InChIInChI=1S/C8H15NO/c1-5-6-8(9-3)7(2)10-4/h1,7-9H,6H2,2-4H3
InChIKeySDLHJVNIKJEGBQ-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
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-N-methylhex-5-yn-3-amine?
The IUPAC name of 2-methoxy-N-methylhex-5-yn-3-amine (CID 79616094) is 2-methoxy-N-methylhex-5-yn-3-amine.
What is the SMILES notation for 2-methoxy-N-methylhex-5-yn-3-amine?
The canonical SMILES for 2-methoxy-N-methylhex-5-yn-3-amine is C#CCC(NC)C(C)OC.
What is the InChIKey of 2-methoxy-N-methylhex-5-yn-3-amine?
The InChIKey is SDLHJVNIKJEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-8(9-3)7(2)10-4/h1,7-9H,6H2,2-4H3.
What are the key properties of 2-methoxy-N-methylhex-5-yn-3-amine?
2-methoxy-N-methylhex-5-yn-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylhex-5-yn-3-amine is sourced from PubChem (CID 79616094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).