4-ethyl-1-methylazepan-4-ol

C9H19NO — CID 65075231

IUPAC4-ethyl-1-methylazepan-4-ol
SMILESCCC1(O)CCCN(C)CC1
InChIInChI=1S/C9H19NO/c1-3-9(11)5-4-7-10(2)8-6-9/h11H,3-8H2,1-2H3
InChIKeyYEFFELHDBFPUBW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds1

About 4-ethyl-1-methylazepan-4-ol

4-ethyl-1-methylazepan-4-ol (PubChem CID 65075231) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-ethyl-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-ethyl-1-methylazepan-4-ol
PubChem CID65075231
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-ethyl-1-methylazepan-4-ol
SMILESCCC1(O)CCCN(C)CC1
InChIInChI=1S/C9H19NO/c1-3-9(11)5-4-7-10(2)8-6-9/h11H,3-8H2,1-2H3
InChIKeyYEFFELHDBFPUBW-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-methylazepan-4-ol 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 4-ethyl-1-methylazepan-4-ol?
The IUPAC name of 4-ethyl-1-methylazepan-4-ol (CID 65075231) is 4-ethyl-1-methylazepan-4-ol.
What is the SMILES notation for 4-ethyl-1-methylazepan-4-ol?
The canonical SMILES for 4-ethyl-1-methylazepan-4-ol is CCC1(O)CCCN(C)CC1.
What is the InChIKey of 4-ethyl-1-methylazepan-4-ol?
The InChIKey is YEFFELHDBFPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(11)5-4-7-10(2)8-6-9/h11H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-1-methylazepan-4-ol?
4-ethyl-1-methylazepan-4-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylazepan-4-ol is sourced from PubChem (CID 65075231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).