1,2-dimethyl-4-methylideneazepane

C9H17N — CID 166484430

IUPAC1,2-dimethyl-4-methylideneazepane
SMILESC=C1CCCN(C)C(C)C1
InChIInChI=1S/C9H17N/c1-8-5-4-6-10(3)9(2)7-8/h9H,1,4-7H2,2-3H3
InChIKeyVQOBMTWWENAZCH-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds

About 1,2-dimethyl-4-methylideneazepane

1,2-dimethyl-4-methylideneazepane (PubChem CID 166484430) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,2-dimethyl-4-methylideneazepane.

Molecular Properties

Compound Name1,2-dimethyl-4-methylideneazepane
PubChem CID166484430
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,2-dimethyl-4-methylideneazepane
SMILESC=C1CCCN(C)C(C)C1
InChIInChI=1S/C9H17N/c1-8-5-4-6-10(3)9(2)7-8/h9H,1,4-7H2,2-3H3
InChIKeyVQOBMTWWENAZCH-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1S)-1-tert-butyl-3-methylidenecyclohexane
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CID 142113332
1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-methylideneazepane?
The IUPAC name of 1,2-dimethyl-4-methylideneazepane (CID 166484430) is 1,2-dimethyl-4-methylideneazepane.
What is the SMILES notation for 1,2-dimethyl-4-methylideneazepane?
The canonical SMILES for 1,2-dimethyl-4-methylideneazepane is C=C1CCCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-methylideneazepane?
The InChIKey is VQOBMTWWENAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-5-4-6-10(3)9(2)7-8/h9H,1,4-7H2,2-3H3.
What are the key properties of 1,2-dimethyl-4-methylideneazepane?
1,2-dimethyl-4-methylideneazepane has a molecular weight of 139.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-methylideneazepane is sourced from PubChem (CID 166484430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).