4-ethyl-4-methylazepane

C9H19N — CID 55299291

IUPAC4-ethyl-4-methylazepane
SMILESCCC1(C)CCCNCC1
InChIInChI=1S/C9H19N/c1-3-9(2)5-4-7-10-8-6-9/h10H,3-8H2,1-2H3
InChIKeyQNGRDGNCWCJLJO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds1

About 4-ethyl-4-methylazepane

4-ethyl-4-methylazepane (PubChem CID 55299291) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4-ethyl-4-methylazepane.

Molecular Properties

Compound Name4-ethyl-4-methylazepane
PubChem CID55299291
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4-ethyl-4-methylazepane
SMILESCCC1(C)CCCNCC1
InChIInChI=1S/C9H19N/c1-3-9(2)5-4-7-10-8-6-9/h10H,3-8H2,1-2H3
InChIKeyQNGRDGNCWCJLJO-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylazepane?
The IUPAC name of 4-ethyl-4-methylazepane (CID 55299291) is 4-ethyl-4-methylazepane.
What is the SMILES notation for 4-ethyl-4-methylazepane?
The canonical SMILES for 4-ethyl-4-methylazepane is CCC1(C)CCCNCC1.
What is the InChIKey of 4-ethyl-4-methylazepane?
The InChIKey is QNGRDGNCWCJLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-9(2)5-4-7-10-8-6-9/h10H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-4-methylazepane?
4-ethyl-4-methylazepane has a molecular weight of 141.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylazepane is sourced from PubChem (CID 55299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).