2-ethyl-2-propan-2-ylazepane

C11H23N — CID 79117006

IUPAC2-ethyl-2-propan-2-ylazepane
SMILESCCC1(C(C)C)CCCCCN1
InChIInChI=1S/C11H23N/c1-4-11(10(2)3)8-6-5-7-9-12-11/h10,12H,4-9H2,1-3H3
InChIKeyDTHYKPGQAOYNNT-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds2

About 2-ethyl-2-propan-2-ylazepane

2-ethyl-2-propan-2-ylazepane (PubChem CID 79117006) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-ethyl-2-propan-2-ylazepane.

Molecular Properties

Compound Name2-ethyl-2-propan-2-ylazepane
PubChem CID79117006
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-ethyl-2-propan-2-ylazepane
SMILESCCC1(C(C)C)CCCCCN1
InChIInChI=1S/C11H23N/c1-4-11(10(2)3)8-6-5-7-9-12-11/h10,12H,4-9H2,1-3H3
InChIKeyDTHYKPGQAOYNNT-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-propan-2-ylazepane?
The IUPAC name of 2-ethyl-2-propan-2-ylazepane (CID 79117006) is 2-ethyl-2-propan-2-ylazepane.
What is the SMILES notation for 2-ethyl-2-propan-2-ylazepane?
The canonical SMILES for 2-ethyl-2-propan-2-ylazepane is CCC1(C(C)C)CCCCCN1.
What is the InChIKey of 2-ethyl-2-propan-2-ylazepane?
The InChIKey is DTHYKPGQAOYNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-11(10(2)3)8-6-5-7-9-12-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-propan-2-ylazepane?
2-ethyl-2-propan-2-ylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-propan-2-ylazepane is sourced from PubChem (CID 79117006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).