4,4-diethylazepane

C10H21N — CID 75525697

IUPAC4,4-diethylazepane
SMILESCCC1(CC)CCCNCC1
InChIInChI=1S/C10H21N/c1-3-10(4-2)6-5-8-11-9-7-10/h11H,3-9H2,1-2H3
InChIKeyHXPJBAVMNKVDLR-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.57
Rot. Bonds2

About 4,4-diethylazepane

4,4-diethylazepane (PubChem CID 75525697) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4,4-diethylazepane.

Molecular Properties

Compound Name4,4-diethylazepane
PubChem CID75525697
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4,4-diethylazepane
SMILESCCC1(CC)CCCNCC1
InChIInChI=1S/C10H21N/c1-3-10(4-2)6-5-8-11-9-7-10/h11H,3-9H2,1-2H3
InChIKeyHXPJBAVMNKVDLR-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethylazepane?
The IUPAC name of 4,4-diethylazepane (CID 75525697) is 4,4-diethylazepane.
What is the SMILES notation for 4,4-diethylazepane?
The canonical SMILES for 4,4-diethylazepane is CCC1(CC)CCCNCC1.
What is the InChIKey of 4,4-diethylazepane?
The InChIKey is HXPJBAVMNKVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-10(4-2)6-5-8-11-9-7-10/h11H,3-9H2,1-2H3.
What are the key properties of 4,4-diethylazepane?
4,4-diethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethylazepane is sourced from PubChem (CID 75525697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).