2-methoxyheptan-1-amine

C8H19NO — CID 54437910

IUPAC2-methoxyheptan-1-amine
SMILESCCCCCC(CN)OC
InChIInChI=1S/C8H19NO/c1-3-4-5-6-8(7-9)10-2/h8H,3-7,9H2,1-2H3
InChIKeyWMAGUWIAHCROKK-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds6

About 2-methoxyheptan-1-amine

2-methoxyheptan-1-amine (PubChem CID 54437910) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-methoxyheptan-1-amine.

Molecular Properties

Compound Name2-methoxyheptan-1-amine
PubChem CID54437910
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-methoxyheptan-1-amine
SMILESCCCCCC(CN)OC
InChIInChI=1S/C8H19NO/c1-3-4-5-6-8(7-9)10-2/h8H,3-7,9H2,1-2H3
InChIKeyWMAGUWIAHCROKK-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyheptan-1-amine?
The IUPAC name of 2-methoxyheptan-1-amine (CID 54437910) is 2-methoxyheptan-1-amine.
What is the SMILES notation for 2-methoxyheptan-1-amine?
The canonical SMILES for 2-methoxyheptan-1-amine is CCCCCC(CN)OC.
What is the InChIKey of 2-methoxyheptan-1-amine?
The InChIKey is WMAGUWIAHCROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-4-5-6-8(7-9)10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-methoxyheptan-1-amine?
2-methoxyheptan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyheptan-1-amine is sourced from PubChem (CID 54437910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).