3-methyl-2-methylideneazepane

C8H15N — CID 20613545

IUPAC3-methyl-2-methylideneazepane
SMILESC=C1NCCCCC1C
InChIInChI=1S/C8H15N/c1-7-5-3-4-6-9-8(7)2/h7,9H,2-6H2,1H3
InChIKeyTZIOMRDVXQJESO-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.91
Rot. Bonds

About 3-methyl-2-methylideneazepane

3-methyl-2-methylideneazepane (PubChem CID 20613545) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-methyl-2-methylideneazepane.

Molecular Properties

Compound Name3-methyl-2-methylideneazepane
PubChem CID20613545
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-methyl-2-methylideneazepane
SMILESC=C1NCCCCC1C
InChIInChI=1S/C8H15N/c1-7-5-3-4-6-9-8(7)2/h7,9H,2-6H2,1H3
InChIKeyTZIOMRDVXQJESO-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylideneazepane?
The IUPAC name of 3-methyl-2-methylideneazepane (CID 20613545) is 3-methyl-2-methylideneazepane.
What is the SMILES notation for 3-methyl-2-methylideneazepane?
The canonical SMILES for 3-methyl-2-methylideneazepane is C=C1NCCCCC1C.
What is the InChIKey of 3-methyl-2-methylideneazepane?
The InChIKey is TZIOMRDVXQJESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-3-4-6-9-8(7)2/h7,9H,2-6H2,1H3.
What are the key properties of 3-methyl-2-methylideneazepane?
3-methyl-2-methylideneazepane has a molecular weight of 125.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylideneazepane is sourced from PubChem (CID 20613545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).