1-ethyl-1,3-diazepane

C7H16N2 — CID 91576185

IUPAC1-ethyl-1,3-diazepane
SMILESCCN1CCCCNC1
InChIInChI=1S/C7H16N2/c1-2-9-6-4-3-5-8-7-9/h8H,2-7H2,1H3
InChIKeyOKNQADROQADAPX-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.65
Rot. Bonds1

About 1-ethyl-1,3-diazepane

1-ethyl-1,3-diazepane (PubChem CID 91576185) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-ethyl-1,3-diazepane.

Molecular Properties

Compound Name1-ethyl-1,3-diazepane
PubChem CID91576185
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-ethyl-1,3-diazepane
SMILESCCN1CCCCNC1
InChIInChI=1S/C7H16N2/c1-2-9-6-4-3-5-8-7-9/h8H,2-7H2,1H3
InChIKeyOKNQADROQADAPX-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
piperidine;1-propylpiperidine
CID 67843364
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
1-pentylpiperidine;pyrrolidine
CID 69027489
1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane
CID 166883484
dichloromethane;1-ethylpiperidine
CID 174832061
1-(2H-triazol-4-ylmethyl)-1,3-diazepane
CID 90754338
1-ethylpyrrolidine;sulfanyloxymethane
CID 172620530
1,3-diethyl-1,3,5,7-tetrazocane
CID 146939924

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-diazepane?
The IUPAC name of 1-ethyl-1,3-diazepane (CID 91576185) is 1-ethyl-1,3-diazepane.
What is the SMILES notation for 1-ethyl-1,3-diazepane?
The canonical SMILES for 1-ethyl-1,3-diazepane is CCN1CCCCNC1.
What is the InChIKey of 1-ethyl-1,3-diazepane?
The InChIKey is OKNQADROQADAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-9-6-4-3-5-8-7-9/h8H,2-7H2,1H3.
What are the key properties of 1-ethyl-1,3-diazepane?
1-ethyl-1,3-diazepane has a molecular weight of 128.22 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-diazepane is sourced from PubChem (CID 91576185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).