2,3-diethyl-2,3-dimethylazepane

C12H25N — CID 143907856

IUPAC2,3-diethyl-2,3-dimethylazepane
SMILESCCC1(C)CCCCNC1(C)CC
InChIInChI=1S/C12H25N/c1-5-11(3)9-7-8-10-13-12(11,4)6-2/h13H,5-10H2,1-4H3
InChIKeyAKYOKAFGCKQVOO-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds2

About 2,3-diethyl-2,3-dimethylazepane

2,3-diethyl-2,3-dimethylazepane (PubChem CID 143907856) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,3-diethyl-2,3-dimethylazepane.

Molecular Properties

Compound Name2,3-diethyl-2,3-dimethylazepane
PubChem CID143907856
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,3-diethyl-2,3-dimethylazepane
SMILESCCC1(C)CCCCNC1(C)CC
InChIInChI=1S/C12H25N/c1-5-11(3)9-7-8-10-13-12(11,4)6-2/h13H,5-10H2,1-4H3
InChIKeyAKYOKAFGCKQVOO-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,3-dimethylazepane?
The IUPAC name of 2,3-diethyl-2,3-dimethylazepane (CID 143907856) is 2,3-diethyl-2,3-dimethylazepane.
What is the SMILES notation for 2,3-diethyl-2,3-dimethylazepane?
The canonical SMILES for 2,3-diethyl-2,3-dimethylazepane is CCC1(C)CCCCNC1(C)CC.
What is the InChIKey of 2,3-diethyl-2,3-dimethylazepane?
The InChIKey is AKYOKAFGCKQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-11(3)9-7-8-10-13-12(11,4)6-2/h13H,5-10H2,1-4H3.
What are the key properties of 2,3-diethyl-2,3-dimethylazepane?
2,3-diethyl-2,3-dimethylazepane has a molecular weight of 183.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-dimethylazepane is sourced from PubChem (CID 143907856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).