1-tert-butyl-4-ethyl-1,4-diazepane

C11H24N2 — CID 58311606

IUPAC1-tert-butyl-4-ethyl-1,4-diazepane
SMILESCCN1CCCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2/c1-5-12-7-6-8-13(10-9-12)11(2,3)4/h5-10H2,1-4H3
InChIKeyFGIUSRKHGFEQLM-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds1

About 1-tert-butyl-4-ethyl-1,4-diazepane

1-tert-butyl-4-ethyl-1,4-diazepane (PubChem CID 58311606) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-1,4-diazepane.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-1,4-diazepane
PubChem CID58311606
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-tert-butyl-4-ethyl-1,4-diazepane
SMILESCCN1CCCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2/c1-5-12-7-6-8-13(10-9-12)11(2,3)4/h5-10H2,1-4H3
InChIKeyFGIUSRKHGFEQLM-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-1,4-diazepane?
The IUPAC name of 1-tert-butyl-4-ethyl-1,4-diazepane (CID 58311606) is 1-tert-butyl-4-ethyl-1,4-diazepane.
What is the SMILES notation for 1-tert-butyl-4-ethyl-1,4-diazepane?
The canonical SMILES for 1-tert-butyl-4-ethyl-1,4-diazepane is CCN1CCCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethyl-1,4-diazepane?
The InChIKey is FGIUSRKHGFEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-12-7-6-8-13(10-9-12)11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethyl-1,4-diazepane?
1-tert-butyl-4-ethyl-1,4-diazepane has a molecular weight of 184.33 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-1,4-diazepane is sourced from PubChem (CID 58311606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).