azane;cyclopentyloxymethylbenzene

C12H19NO — CID 69411306

IUPACazane;cyclopentyloxymethylbenzene
SMILESN.c1ccc(COC2CCCC2)cc1
InChIInChI=1S/C12H16O.H3N/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12;/h1-3,6-7,12H,4-5,8-10H2;1H3
InChIKeyILAILZGJEKPZCE-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.31
Rot. Bonds3

About azane;cyclopentyloxymethylbenzene

azane;cyclopentyloxymethylbenzene (PubChem CID 69411306) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is azane;cyclopentyloxymethylbenzene.

Molecular Properties

Compound Nameazane;cyclopentyloxymethylbenzene
PubChem CID69411306
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameazane;cyclopentyloxymethylbenzene
SMILESN.c1ccc(COC2CCCC2)cc1
InChIInChI=1S/C12H16O.H3N/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12;/h1-3,6-7,12H,4-5,8-10H2;1H3
InChIKeyILAILZGJEKPZCE-UHFFFAOYSA-N
XLogP3.31
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxyazepane
CID 63716383
(4S)-4-phenylmethoxycycloheptan-1-one
CID 124560825
4-phenylmethoxyoxane
CID 66554133
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
1-oxido-4-phenylmethoxypiperidin-1-ium
CID 6374335
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879
2-tert-butylphenol;cyclobutyloxymethylbenzene
CID 145450512
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736

Frequently Asked Questions

What is the IUPAC name of azane;cyclopentyloxymethylbenzene?
The IUPAC name of azane;cyclopentyloxymethylbenzene (CID 69411306) is azane;cyclopentyloxymethylbenzene.
What is the SMILES notation for azane;cyclopentyloxymethylbenzene?
The canonical SMILES for azane;cyclopentyloxymethylbenzene is N.c1ccc(COC2CCCC2)cc1.
What is the InChIKey of azane;cyclopentyloxymethylbenzene?
The InChIKey is ILAILZGJEKPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.H3N/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12;/h1-3,6-7,12H,4-5,8-10H2;1H3.
What are the key properties of azane;cyclopentyloxymethylbenzene?
azane;cyclopentyloxymethylbenzene has a molecular weight of 193.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclopentyloxymethylbenzene is sourced from PubChem (CID 69411306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).