ethane;2-methylideneazepane

C9H19N — CID 91022127

IUPACethane;2-methylideneazepane
SMILESC=C1CCCCCN1.CC
InChIInChI=1S/C7H13N.C2H6/c1-7-5-3-2-4-6-8-7;1-2/h8H,1-6H2;1-2H3
InChIKeySOBWPEGRXITKMX-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.69
Rot. Bonds

About ethane;2-methylideneazepane

ethane;2-methylideneazepane (PubChem CID 91022127) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;2-methylideneazepane.

Molecular Properties

Compound Nameethane;2-methylideneazepane
PubChem CID91022127
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;2-methylideneazepane
SMILESC=C1CCCCCN1.CC
InChIInChI=1S/C7H13N.C2H6/c1-7-5-3-2-4-6-8-7;1-2/h8H,1-6H2;1-2H3
InChIKeySOBWPEGRXITKMX-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-2-one;ethane
CID 91592472
ethane;2-methylidene-1,3-diazinane
CID 91545361
3-methylideneazocan-2-one
CID 53387964
azepan-2-one;cyclohexane
CID 70248400
azepan-2-ylidenetungsten
CID 177269467
azocan-2-one
CID 12657
azacyclotetracosan-2-one
CID 102100276
bis(azepan-2-one);dimethylsilane
CID 174817428
azepan-2-one;methoxymethane
CID 86733033
magnesium azepan-2-one
CID 18987030
CID 70405773
CID 70405773
azepan-2-one;pyrrolidin-2-one
CID 22023756

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylideneazepane?
The IUPAC name of ethane;2-methylideneazepane (CID 91022127) is ethane;2-methylideneazepane.
What is the SMILES notation for ethane;2-methylideneazepane?
The canonical SMILES for ethane;2-methylideneazepane is C=C1CCCCCN1.CC.
What is the InChIKey of ethane;2-methylideneazepane?
The InChIKey is SOBWPEGRXITKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-7-5-3-2-4-6-8-7;1-2/h8H,1-6H2;1-2H3.
What are the key properties of ethane;2-methylideneazepane?
ethane;2-methylideneazepane has a molecular weight of 141.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylideneazepane is sourced from PubChem (CID 91022127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).