1-ethyl-5,5-dimethyl-1,4-diazepane

C9H20N2 — CID 117023712

IUPAC1-ethyl-5,5-dimethyl-1,4-diazepane
SMILESCCN1CCNC(C)(C)CC1
InChIInChI=1S/C9H20N2/c1-4-11-7-5-9(2,3)10-6-8-11/h10H,4-8H2,1-3H3
InChIKeyOMDOINPUXPRPEC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds1

About 1-ethyl-5,5-dimethyl-1,4-diazepane

1-ethyl-5,5-dimethyl-1,4-diazepane (PubChem CID 117023712) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethyl-5,5-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-5,5-dimethyl-1,4-diazepane
PubChem CID117023712
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-ethyl-5,5-dimethyl-1,4-diazepane
SMILESCCN1CCNC(C)(C)CC1
InChIInChI=1S/C9H20N2/c1-4-11-7-5-9(2,3)10-6-8-11/h10H,4-8H2,1-3H3
InChIKeyOMDOINPUXPRPEC-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-dimethyl-1,4-diazepane?
The IUPAC name of 1-ethyl-5,5-dimethyl-1,4-diazepane (CID 117023712) is 1-ethyl-5,5-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-ethyl-5,5-dimethyl-1,4-diazepane?
The canonical SMILES for 1-ethyl-5,5-dimethyl-1,4-diazepane is CCN1CCNC(C)(C)CC1.
What is the InChIKey of 1-ethyl-5,5-dimethyl-1,4-diazepane?
The InChIKey is OMDOINPUXPRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-11-7-5-9(2,3)10-6-8-11/h10H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-5,5-dimethyl-1,4-diazepane?
1-ethyl-5,5-dimethyl-1,4-diazepane has a molecular weight of 156.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-dimethyl-1,4-diazepane is sourced from PubChem (CID 117023712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).