6-methoxy-2-methylhex-3-yn-2-amine

C8H15NO — CID 57418038

IUPAC6-methoxy-2-methylhex-3-yn-2-amine
SMILESCOCCC#CC(C)(C)N
InChIInChI=1S/C8H15NO/c1-8(2,9)6-4-5-7-10-3/h5,7,9H2,1-3H3
InChIKeyHXVNXPAWUPAPDX-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds2

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

6-methoxy-2-methylhex-3-yn-2-amine (PubChem CID 57418038) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-methoxy-2-methylhex-3-yn-2-amine.

Molecular Properties

Compound Name6-methoxy-2-methylhex-3-yn-2-amine
PubChem CID57418038
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-methoxy-2-methylhex-3-yn-2-amine
SMILESCOCCC#CC(C)(C)N
InChIInChI=1S/C8H15NO/c1-8(2,9)6-4-5-7-10-3/h5,7,9H2,1-3H3
InChIKeyHXVNXPAWUPAPDX-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylhex-3-yn-2-amine?
The IUPAC name of 6-methoxy-2-methylhex-3-yn-2-amine (CID 57418038) is 6-methoxy-2-methylhex-3-yn-2-amine.
What is the SMILES notation for 6-methoxy-2-methylhex-3-yn-2-amine?
The canonical SMILES for 6-methoxy-2-methylhex-3-yn-2-amine is COCCC#CC(C)(C)N.
What is the InChIKey of 6-methoxy-2-methylhex-3-yn-2-amine?
The InChIKey is HXVNXPAWUPAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,9)6-4-5-7-10-3/h5,7,9H2,1-3H3.
What are the key properties of 6-methoxy-2-methylhex-3-yn-2-amine?
6-methoxy-2-methylhex-3-yn-2-amine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylhex-3-yn-2-amine is sourced from PubChem (CID 57418038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).