6-methyl-2-methylideneazepane

C8H15N — CID 139397663

IUPAC6-methyl-2-methylideneazepane
SMILESC=C1CCCC(C)CN1
InChIInChI=1S/C8H15N/c1-7-4-3-5-8(2)9-6-7/h7,9H,2-6H2,1H3
InChIKeyJDIWWNZQDRTQNI-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.91
Rot. Bonds

About 6-methyl-2-methylideneazepane

6-methyl-2-methylideneazepane (PubChem CID 139397663) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 6-methyl-2-methylideneazepane.

Molecular Properties

Compound Name6-methyl-2-methylideneazepane
PubChem CID139397663
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name6-methyl-2-methylideneazepane
SMILESC=C1CCCC(C)CN1
InChIInChI=1S/C8H15N/c1-7-4-3-5-8(2)9-6-7/h7,9H,2-6H2,1H3
InChIKeyJDIWWNZQDRTQNI-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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Related Compounds

4-methyl-2-methylidenepyrrolidine
CID 59894852
1,6-dimethyl-2-methylideneazepane
CID 143023299
5-methylpiperidin-2-one
CID 10877083
4,5-dimethyl-2-methylidenepiperidine
CID 142187798
ethane;2-methylideneazepane
CID 91022127
3-methylpiperidin-2-one;5-methylpiperidin-2-one
CID 157332595
6-methyl-2-(pyridin-2-ylmethylidene)azepane
CID 165355645
N-methyl-6-methylidene-N-propan-2-ylpiperidin-3-amine
CID 166897877
4-methyl-2-methylidenepiperidine
CID 75088782
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
4-methyl-2-methylideneimidazolidine
CID 20691060
3-methylazepane
CID 14291801

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylideneazepane?
The IUPAC name of 6-methyl-2-methylideneazepane (CID 139397663) is 6-methyl-2-methylideneazepane.
What is the SMILES notation for 6-methyl-2-methylideneazepane?
The canonical SMILES for 6-methyl-2-methylideneazepane is C=C1CCCC(C)CN1.
What is the InChIKey of 6-methyl-2-methylideneazepane?
The InChIKey is JDIWWNZQDRTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-3-5-8(2)9-6-7/h7,9H,2-6H2,1H3.
What are the key properties of 6-methyl-2-methylideneazepane?
6-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 6-methyl-2-methylideneazepane is sourced from PubChem (CID 139397663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).