7-methoxyhept-5-yn-1-amine

C8H15NO — CID 163753460

IUPAC7-methoxyhept-5-yn-1-amine
SMILESCOCC#CCCCCN
InChIInChI=1S/C8H15NO/c1-10-8-6-4-2-3-5-7-9/h2-3,5,7-9H2,1H3
InChIKeyLSAKZMPARPWAQR-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds4

About 7-methoxyhept-5-yn-1-amine

7-methoxyhept-5-yn-1-amine (PubChem CID 163753460) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 7-methoxyhept-5-yn-1-amine.

Molecular Properties

Compound Name7-methoxyhept-5-yn-1-amine
PubChem CID163753460
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name7-methoxyhept-5-yn-1-amine
SMILESCOCC#CCCCCN
InChIInChI=1S/C8H15NO/c1-10-8-6-4-2-3-5-7-9/h2-3,5,7-9H2,1H3
InChIKeyLSAKZMPARPWAQR-UHFFFAOYSA-N
XLogP0.77
TPSA35.25 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 ≤ 50.77
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 7-methoxyhept-5-yn-1-amine?
The IUPAC name of 7-methoxyhept-5-yn-1-amine (CID 163753460) is 7-methoxyhept-5-yn-1-amine.
What is the SMILES notation for 7-methoxyhept-5-yn-1-amine?
The canonical SMILES for 7-methoxyhept-5-yn-1-amine is COCC#CCCCCN.
What is the InChIKey of 7-methoxyhept-5-yn-1-amine?
The InChIKey is LSAKZMPARPWAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-6-4-2-3-5-7-9/h2-3,5,7-9H2,1H3.
What are the key properties of 7-methoxyhept-5-yn-1-amine?
7-methoxyhept-5-yn-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyhept-5-yn-1-amine is sourced from PubChem (CID 163753460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).