(4E)-4-(2-propan-2-yloxyethylidene)azepane

C11H21NO — CID 115016581

IUPAC(4E)-4-(2-propan-2-yloxyethylidene)azepane
SMILESCC(C)OC/C=C1\CCCNCC1
InChIInChI=1S/C11H21NO/c1-10(2)13-9-6-11-4-3-7-12-8-5-11/h6,10,12H,3-5,7-9H2,1-2H3/b11-6+
InChIKeyOCLISOSIBQTVFY-IZZDOVSWSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds3

About (4E)-4-(2-propan-2-yloxyethylidene)azepane

(4E)-4-(2-propan-2-yloxyethylidene)azepane (PubChem CID 115016581) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4E)-4-(2-propan-2-yloxyethylidene)azepane.

Molecular Properties

Compound Name(4E)-4-(2-propan-2-yloxyethylidene)azepane
PubChem CID115016581
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4E)-4-(2-propan-2-yloxyethylidene)azepane
SMILESCC(C)OC/C=C1\CCCNCC1
InChIInChI=1S/C11H21NO/c1-10(2)13-9-6-11-4-3-7-12-8-5-11/h6,10,12H,3-5,7-9H2,1-2H3/b11-6+
InChIKeyOCLISOSIBQTVFY-IZZDOVSWSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine
CID 58451778
(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane
CID 134342655
(4E)-4-[(3E)-3-methoxyhexa-3,5-dien-2-ylidene]azepane
CID 143148144
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
(E)-N-ethyl-5-methoxy-3-methylhex-3-en-1-amine
CID 156192024
(E)-3-ethyl-5-methoxy-N-propan-2-ylhex-3-en-1-amine
CID 156192030
4-methyl-5-propan-2-yloxy-N-propylpent-3-en-1-amine
CID 79597963
N-ethyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79599100
(2E)-N-ethyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838944
(2E)-2-[(5-methyloxolan-2-yl)methylidene]-N-propylbutan-1-amine
CID 82838945
(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane
CID 103143070

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(2-propan-2-yloxyethylidene)azepane?
The IUPAC name of (4E)-4-(2-propan-2-yloxyethylidene)azepane (CID 115016581) is (4E)-4-(2-propan-2-yloxyethylidene)azepane.
What is the SMILES notation for (4E)-4-(2-propan-2-yloxyethylidene)azepane?
The canonical SMILES for (4E)-4-(2-propan-2-yloxyethylidene)azepane is CC(C)OC/C=C1\CCCNCC1.
What is the InChIKey of (4E)-4-(2-propan-2-yloxyethylidene)azepane?
The InChIKey is OCLISOSIBQTVFY-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)13-9-6-11-4-3-7-12-8-5-11/h6,10,12H,3-5,7-9H2,1-2H3/b11-6+.
What are the key properties of (4E)-4-(2-propan-2-yloxyethylidene)azepane?
(4E)-4-(2-propan-2-yloxyethylidene)azepane has a molecular weight of 183.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(2-propan-2-yloxyethylidene)azepane is sourced from PubChem (CID 115016581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).