1-ethylazepane

C8H17N — CID 535585

IUPAC1-ethylazepane
SMILESCCN1CCCCCC1
InChIInChI=1S/C8H17N/c1-2-9-7-5-3-4-6-8-9/h2-8H2,1H3
InChIKeyRUOFIIKCANAEBW-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.88
Rot. Bonds1

About 1-ethylazepane

1-ethylazepane (PubChem CID 535585) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1-ethylazepane.

Molecular Properties

Compound Name1-ethylazepane
PubChem CID535585
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1-ethylazepane
SMILESCCN1CCCCCC1
InChIInChI=1S/C8H17N/c1-2-9-7-5-3-4-6-8-9/h2-8H2,1H3
InChIKeyRUOFIIKCANAEBW-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylazepane?
The IUPAC name of 1-ethylazepane (CID 535585) is 1-ethylazepane.
What is the SMILES notation for 1-ethylazepane?
The canonical SMILES for 1-ethylazepane is CCN1CCCCCC1.
What is the InChIKey of 1-ethylazepane?
The InChIKey is RUOFIIKCANAEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-9-7-5-3-4-6-8-9/h2-8H2,1H3.
What are the key properties of 1-ethylazepane?
1-ethylazepane has a molecular weight of 127.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazepane is sourced from PubChem (CID 535585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).