5-methylidene-3-phenylmethoxyazepane

C14H19NO — CID 144890570

IUPAC5-methylidene-3-phenylmethoxyazepane
SMILESC=C1CCNCC(OCc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-12-7-8-15-10-14(9-12)16-11-13-5-3-2-4-6-13/h2-6,14-15H,1,7-11H2
InChIKeyBROHGISKVMVEBX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.51
Rot. Bonds3

About 5-methylidene-3-phenylmethoxyazepane

5-methylidene-3-phenylmethoxyazepane (PubChem CID 144890570) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methylidene-3-phenylmethoxyazepane.

Molecular Properties

Compound Name5-methylidene-3-phenylmethoxyazepane
PubChem CID144890570
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-methylidene-3-phenylmethoxyazepane
SMILESC=C1CCNCC(OCc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-12-7-8-15-10-14(9-12)16-11-13-5-3-2-4-6-13/h2-6,14-15H,1,7-11H2
InChIKeyBROHGISKVMVEBX-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.51
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

5-methyl-3-phenylmethoxyazepane
CID 123477831
(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene
CID 91579429
2-phenylmethoxypiperazin-1-amine
CID 174881039
4-phenylmethoxyazepane
CID 63716383
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
3-(phenylmethoxymethoxy)azetidine
CID 106938173
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
4-methyl-3-phenylmethoxypiperidine
CID 102954119
azane;cyclopentyloxymethylbenzene
CID 69411306
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-phenylmethoxyazepane?
The IUPAC name of 5-methylidene-3-phenylmethoxyazepane (CID 144890570) is 5-methylidene-3-phenylmethoxyazepane.
What is the SMILES notation for 5-methylidene-3-phenylmethoxyazepane?
The canonical SMILES for 5-methylidene-3-phenylmethoxyazepane is C=C1CCNCC(OCc2ccccc2)C1.
What is the InChIKey of 5-methylidene-3-phenylmethoxyazepane?
The InChIKey is BROHGISKVMVEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-7-8-15-10-14(9-12)16-11-13-5-3-2-4-6-13/h2-6,14-15H,1,7-11H2.
What are the key properties of 5-methylidene-3-phenylmethoxyazepane?
5-methylidene-3-phenylmethoxyazepane has a molecular weight of 217.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-phenylmethoxyazepane is sourced from PubChem (CID 144890570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).