2-ethyl-1-propan-2-ylazepane

C11H23N — CID 90211530

IUPAC2-ethyl-1-propan-2-ylazepane
SMILESCCC1CCCCCN1C(C)C
InChIInChI=1S/C11H23N/c1-4-11-8-6-5-7-9-12(11)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyBVVMOJXORRFFCO-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds2

About 2-ethyl-1-propan-2-ylazepane

2-ethyl-1-propan-2-ylazepane (PubChem CID 90211530) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-ethyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name2-ethyl-1-propan-2-ylazepane
PubChem CID90211530
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-ethyl-1-propan-2-ylazepane
SMILESCCC1CCCCCN1C(C)C
InChIInChI=1S/C11H23N/c1-4-11-8-6-5-7-9-12(11)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyBVVMOJXORRFFCO-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propan-2-ylazepane?
The IUPAC name of 2-ethyl-1-propan-2-ylazepane (CID 90211530) is 2-ethyl-1-propan-2-ylazepane.
What is the SMILES notation for 2-ethyl-1-propan-2-ylazepane?
The canonical SMILES for 2-ethyl-1-propan-2-ylazepane is CCC1CCCCCN1C(C)C.
What is the InChIKey of 2-ethyl-1-propan-2-ylazepane?
The InChIKey is BVVMOJXORRFFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-11-8-6-5-7-9-12(11)10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-1-propan-2-ylazepane?
2-ethyl-1-propan-2-ylazepane has a molecular weight of 169.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propan-2-ylazepane is sourced from PubChem (CID 90211530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).