1-ethyldiazepane

C7H16N2 — CID 59531420

IUPAC1-ethyldiazepane
SMILESCCN1CCCCCN1
InChIInChI=1S/C7H16N2/c1-2-9-7-5-3-4-6-8-9/h8H,2-7H2,1H3
InChIKeyLFLFYEGKZRTZTN-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.00
Rot. Bonds1

About 1-ethyldiazepane

1-ethyldiazepane (PubChem CID 59531420) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-ethyldiazepane.

Molecular Properties

Compound Name1-ethyldiazepane
PubChem CID59531420
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-ethyldiazepane
SMILESCCN1CCCCCN1
InChIInChI=1S/C7H16N2/c1-2-9-7-5-3-4-6-8-9/h8H,2-7H2,1H3
InChIKeyLFLFYEGKZRTZTN-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyldiazepane?
The IUPAC name of 1-ethyldiazepane (CID 59531420) is 1-ethyldiazepane.
What is the SMILES notation for 1-ethyldiazepane?
The canonical SMILES for 1-ethyldiazepane is CCN1CCCCCN1.
What is the InChIKey of 1-ethyldiazepane?
The InChIKey is LFLFYEGKZRTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-9-7-5-3-4-6-8-9/h8H,2-7H2,1H3.
What are the key properties of 1-ethyldiazepane?
1-ethyldiazepane has a molecular weight of 128.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyldiazepane is sourced from PubChem (CID 59531420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).