1-(oxepan-4-yl)ethanamine

C8H17NO — CID 66436771

IUPAC1-(oxepan-4-yl)ethanamine
SMILESCC(N)C1CCCOCC1
InChIInChI=1S/C8H17NO/c1-7(9)8-3-2-5-10-6-4-8/h7-8H,2-6,9H2,1H3
InChIKeyZDLZHRQFHDCKEO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About 1-(oxepan-4-yl)ethanamine

1-(oxepan-4-yl)ethanamine (PubChem CID 66436771) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(oxepan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(oxepan-4-yl)ethanamine
PubChem CID66436771
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(oxepan-4-yl)ethanamine
SMILESCC(N)C1CCCOCC1
InChIInChI=1S/C8H17NO/c1-7(9)8-3-2-5-10-6-4-8/h7-8H,2-6,9H2,1H3
InChIKeyZDLZHRQFHDCKEO-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxepan-4-yl)ethanamine?
The IUPAC name of 1-(oxepan-4-yl)ethanamine (CID 66436771) is 1-(oxepan-4-yl)ethanamine.
What is the SMILES notation for 1-(oxepan-4-yl)ethanamine?
The canonical SMILES for 1-(oxepan-4-yl)ethanamine is CC(N)C1CCCOCC1.
What is the InChIKey of 1-(oxepan-4-yl)ethanamine?
The InChIKey is ZDLZHRQFHDCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(9)8-3-2-5-10-6-4-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-(oxepan-4-yl)ethanamine?
1-(oxepan-4-yl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxepan-4-yl)ethanamine is sourced from PubChem (CID 66436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).