diazepane;ethane

C7H18N2 — CID 168978288

IUPACdiazepane;ethane
SMILESC1CCNNCC1.CC
InChIInChI=1S/C5H12N2.C2H6/c1-2-4-6-7-5-3-1;1-2/h6-7H,1-5H2;1-2H3
InChIKeyKOOSMPJAMWPPQU-UHFFFAOYSA-N
MW130.23 g/mol
LogP1.29
Rot. Bonds

About diazepane;ethane

diazepane;ethane (PubChem CID 168978288) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is diazepane;ethane.

Molecular Properties

Compound Namediazepane;ethane
PubChem CID168978288
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Namediazepane;ethane
SMILESC1CCNNCC1.CC
InChIInChI=1S/C5H12N2.C2H6/c1-2-4-6-7-5-3-1;1-2/h6-7H,1-5H2;1-2H3
InChIKeyKOOSMPJAMWPPQU-UHFFFAOYSA-N
XLogP1.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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pyrazolidine;hydrochloride
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copper;1,2,3,4-tetrazacyclotetradecane
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ethane;methane;piperidine
CID 142115538
1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane
CID 68505911
1,2,3,4,5,6,7,8-octazacyclohenicosane
CID 68502889
1,4-diazonane;ethane
CID 176692085
cyclobutane;ethane
CID 91611118

Frequently Asked Questions

What is the IUPAC name of diazepane;ethane?
The IUPAC name of diazepane;ethane (CID 168978288) is diazepane;ethane.
What is the SMILES notation for diazepane;ethane?
The canonical SMILES for diazepane;ethane is C1CCNNCC1.CC.
What is the InChIKey of diazepane;ethane?
The InChIKey is KOOSMPJAMWPPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2H6/c1-2-4-6-7-5-3-1;1-2/h6-7H,1-5H2;1-2H3.
What are the key properties of diazepane;ethane?
diazepane;ethane has a molecular weight of 130.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazepane;ethane is sourced from PubChem (CID 168978288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).