azepane;ethane;molecular hydrogen;oxepane

C14H33NO — CID 145351859

IUPACazepane;ethane;molecular hydrogen;oxepane
SMILESC1CCCNCC1.C1CCCOCC1.CC.[H][H]
InChIInChI=1S/C6H13N.C6H12O.C2H6.H2/c2*1-2-4-6-7-5-3-1;1-2;/h7H,1-6H2;1-6H2;1-2H3;1H
InChIKeyQSNWPMGDXDZWPW-UHFFFAOYSA-N
MW231.42 g/mol
LogP4.00
Rot. Bonds

About azepane;ethane;molecular hydrogen;oxepane

azepane;ethane;molecular hydrogen;oxepane (PubChem CID 145351859) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is azepane;ethane;molecular hydrogen;oxepane.

Molecular Properties

Compound Nameazepane;ethane;molecular hydrogen;oxepane
PubChem CID145351859
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC Nameazepane;ethane;molecular hydrogen;oxepane
SMILESC1CCCNCC1.C1CCCOCC1.CC.[H][H]
InChIInChI=1S/C6H13N.C6H12O.C2H6.H2/c2*1-2-4-6-7-5-3-1;1-2;/h7H,1-6H2;1-6H2;1-2H3;1H
InChIKeyQSNWPMGDXDZWPW-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepane;ethane;molecular hydrogen;oxepane?
The IUPAC name of azepane;ethane;molecular hydrogen;oxepane (CID 145351859) is azepane;ethane;molecular hydrogen;oxepane.
What is the SMILES notation for azepane;ethane;molecular hydrogen;oxepane?
The canonical SMILES for azepane;ethane;molecular hydrogen;oxepane is C1CCCNCC1.C1CCCOCC1.CC.[H][H].
What is the InChIKey of azepane;ethane;molecular hydrogen;oxepane?
The InChIKey is QSNWPMGDXDZWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H12O.C2H6.H2/c2*1-2-4-6-7-5-3-1;1-2;/h7H,1-6H2;1-6H2;1-2H3;1H.
What are the key properties of azepane;ethane;molecular hydrogen;oxepane?
azepane;ethane;molecular hydrogen;oxepane has a molecular weight of 231.42 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;ethane;molecular hydrogen;oxepane is sourced from PubChem (CID 145351859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).