1-ethyl-3,3-dimethylazepane

C10H21N — CID 90730492

IUPAC1-ethyl-3,3-dimethylazepane
SMILESCCN1CCCCC(C)(C)C1
InChIInChI=1S/C10H21N/c1-4-11-8-6-5-7-10(2,3)9-11/h4-9H2,1-3H3
InChIKeyFATLDIYNIGUTFA-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds1

About 1-ethyl-3,3-dimethylazepane

1-ethyl-3,3-dimethylazepane (PubChem CID 90730492) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethylazepane.

Molecular Properties

Compound Name1-ethyl-3,3-dimethylazepane
PubChem CID90730492
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-ethyl-3,3-dimethylazepane
SMILESCCN1CCCCC(C)(C)C1
InChIInChI=1S/C10H21N/c1-4-11-8-6-5-7-10(2,3)9-11/h4-9H2,1-3H3
InChIKeyFATLDIYNIGUTFA-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-dimethylazepane?
The IUPAC name of 1-ethyl-3,3-dimethylazepane (CID 90730492) is 1-ethyl-3,3-dimethylazepane.
What is the SMILES notation for 1-ethyl-3,3-dimethylazepane?
The canonical SMILES for 1-ethyl-3,3-dimethylazepane is CCN1CCCCC(C)(C)C1.
What is the InChIKey of 1-ethyl-3,3-dimethylazepane?
The InChIKey is FATLDIYNIGUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-11-8-6-5-7-10(2,3)9-11/h4-9H2,1-3H3.
What are the key properties of 1-ethyl-3,3-dimethylazepane?
1-ethyl-3,3-dimethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethylazepane is sourced from PubChem (CID 90730492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).