1,2-diethylazepane

C10H21N — CID 21438202

IUPAC1,2-diethylazepane
SMILESCCC1CCCCCN1CC
InChIInChI=1S/C10H21N/c1-3-10-8-6-5-7-9-11(10)4-2/h10H,3-9H2,1-2H3
InChIKeyWYHDVDKOHZFKDC-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds2

About 1,2-diethylazepane

1,2-diethylazepane (PubChem CID 21438202) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,2-diethylazepane.

Molecular Properties

Compound Name1,2-diethylazepane
PubChem CID21438202
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,2-diethylazepane
SMILESCCC1CCCCCN1CC
InChIInChI=1S/C10H21N/c1-3-10-8-6-5-7-9-11(10)4-2/h10H,3-9H2,1-2H3
InChIKeyWYHDVDKOHZFKDC-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-diethylazepane 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 1,2-diethylazepane?
The IUPAC name of 1,2-diethylazepane (CID 21438202) is 1,2-diethylazepane.
What is the SMILES notation for 1,2-diethylazepane?
The canonical SMILES for 1,2-diethylazepane is CCC1CCCCCN1CC.
What is the InChIKey of 1,2-diethylazepane?
The InChIKey is WYHDVDKOHZFKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-10-8-6-5-7-9-11(10)4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1,2-diethylazepane?
1,2-diethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylazepane is sourced from PubChem (CID 21438202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).