[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine

C12H21N3O — CID 106938380

IUPAC[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine
SMILESCCn1cncc1COC1CCCC1CN
InChIInChI=1S/C12H21N3O/c1-2-15-9-14-7-11(15)8-16-12-5-3-4-10(12)6-13/h7,9-10,12H,2-6,8,13H2,1H3
InChIKeyWPBKPOLGWCKPEA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.55
Rot. Bonds5

About [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine

[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine (PubChem CID 106938380) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine
PubChem CID106938380
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine
SMILESCCn1cncc1COC1CCCC1CN
InChIInChI=1S/C12H21N3O/c1-2-15-9-14-7-11(15)8-16-12-5-3-4-10(12)6-13/h7,9-10,12H,2-6,8,13H2,1H3
InChIKeyWPBKPOLGWCKPEA-UHFFFAOYSA-N
XLogP1.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopentyl-5-(propan-2-yloxymethyl)imidazole
CID 118217272
1-(2-Methylpropyl)-5-(propan-2-yloxymethyl)imidazole
CID 118217278
1-Cyclopentyl-5-(methoxymethyl)imidazole
CID 118221200
5-(3-methylheptan-3-yloxymethyl)-1H-imidazole
CID 130426479
(3S)-3-[(1-methylimidazol-4-yl)methoxymethyl]piperidine;hydrochloride
CID 140121329
(3S)-3-[(3-methylimidazol-4-yl)methoxymethyl]piperidine;dihydrochloride
CID 140121403
(3S)-3-[(3-ethylimidazol-4-yl)methoxymethyl]piperidine;hydrochloride
CID 140121491
1-Cyclopentyl-5-(ethoxymethyl)imidazole
CID 145674874
1-[[1-(2-Methylpropyl)imidazol-4-yl]methoxy]ethanamine
CID 174495106
4-[[(3R)-1,4-ditert-butylpyrrolidin-3-yl]oxymethyl]-1-methylimidazole
CID 176621631
2-(3-Propylimidazol-4-yl)oxan-4-amine
CID 66129856
2-(3-Ethylimidazol-4-yl)oxan-4-amine
CID 66135590

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine (CID 106938380) is [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine is CCn1cncc1COC1CCCC1CN.
What is the InChIKey of [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine?
The InChIKey is WPBKPOLGWCKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-9-14-7-11(15)8-16-12-5-3-4-10(12)6-13/h7,9-10,12H,2-6,8,13H2,1H3.
What are the key properties of [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine?
[2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethylimidazol-4-yl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 106938380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).