2-methylideneazepane

C7H13N — CID 20522173

IUPAC2-methylideneazepane
SMILESC=C1CCCCCN1
InChIInChI=1S/C7H13N/c1-7-5-3-2-4-6-8-7/h8H,1-6H2
InChIKeyPXFUVDGJXKDSJD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.66
Rot. Bonds

About 2-methylideneazepane

2-methylideneazepane (PubChem CID 20522173) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methylideneazepane.

Molecular Properties

Compound Name2-methylideneazepane
PubChem CID20522173
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methylideneazepane
SMILESC=C1CCCCCN1
InChIInChI=1S/C7H13N/c1-7-5-3-2-4-6-8-7/h8H,1-6H2
InChIKeyPXFUVDGJXKDSJD-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylideneazepane?
The IUPAC name of 2-methylideneazepane (CID 20522173) is 2-methylideneazepane.
What is the SMILES notation for 2-methylideneazepane?
The canonical SMILES for 2-methylideneazepane is C=C1CCCCCN1.
What is the InChIKey of 2-methylideneazepane?
The InChIKey is PXFUVDGJXKDSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-5-3-2-4-6-8-7/h8H,1-6H2.
What are the key properties of 2-methylideneazepane?
2-methylideneazepane has a molecular weight of 111.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneazepane is sourced from PubChem (CID 20522173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).