3-methyl-4,5-dimethylideneazepane

C9H15N — CID 123498215

IUPAC3-methyl-4,5-dimethylideneazepane
SMILESC=C1CCNCC(C)C1=C
InChIInChI=1S/C9H15N/c1-7-4-5-10-6-8(2)9(7)3/h8,10H,1,3-6H2,2H3
InChIKeyJEJOKXJCDZCNLV-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.73
Rot. Bonds

About 3-methyl-4,5-dimethylideneazepane

3-methyl-4,5-dimethylideneazepane (PubChem CID 123498215) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methyl-4,5-dimethylideneazepane.

Molecular Properties

Compound Name3-methyl-4,5-dimethylideneazepane
PubChem CID123498215
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methyl-4,5-dimethylideneazepane
SMILESC=C1CCNCC(C)C1=C
InChIInChI=1S/C9H15N/c1-7-4-5-10-6-8(2)9(7)3/h8,10H,1,3-6H2,2H3
InChIKeyJEJOKXJCDZCNLV-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dimethylideneazepane?
The IUPAC name of 3-methyl-4,5-dimethylideneazepane (CID 123498215) is 3-methyl-4,5-dimethylideneazepane.
What is the SMILES notation for 3-methyl-4,5-dimethylideneazepane?
The canonical SMILES for 3-methyl-4,5-dimethylideneazepane is C=C1CCNCC(C)C1=C.
What is the InChIKey of 3-methyl-4,5-dimethylideneazepane?
The InChIKey is JEJOKXJCDZCNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-5-10-6-8(2)9(7)3/h8,10H,1,3-6H2,2H3.
What are the key properties of 3-methyl-4,5-dimethylideneazepane?
3-methyl-4,5-dimethylideneazepane has a molecular weight of 137.23 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dimethylideneazepane is sourced from PubChem (CID 123498215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).