[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine

C12H21N3O — CID 106938475

IUPAC[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCCn1ccnc1
InChIInChI=1S/C12H21N3O/c13-8-11-2-1-3-12(11)9-16-7-6-15-5-4-14-10-15/h4-5,10-12H,1-3,6-9,13H2
InChIKeyFODIVBYEIHTVJO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.27
Rot. Bonds6

About [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine

[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine (PubChem CID 106938475) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine
PubChem CID106938475
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCCn1ccnc1
InChIInChI=1S/C12H21N3O/c13-8-11-2-1-3-12(11)9-16-7-6-15-5-4-14-10-15/h4-5,10-12H,1-3,6-9,13H2
InChIKeyFODIVBYEIHTVJO-UHFFFAOYSA-N
XLogP1.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-imidazol-1-ylethoxy)cyclopentyl]methanamine
CID 106938384
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585
[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
CID 82892394
[2-(3-fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
1-[2-[[2-(aminomethyl)cyclopentyl]methoxy]ethyl]imidazolidin-2-one
CID 106938474
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
2-(2-imidazol-1-ylethoxymethyl)-6-methylmorpholine
CID 106939149
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289

Frequently Asked Questions

What is the IUPAC name of [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine (CID 106938475) is [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine is NCC1CCCC1COCCn1ccnc1.
What is the InChIKey of [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine?
The InChIKey is FODIVBYEIHTVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-8-11-2-1-3-12(11)9-16-7-6-15-5-4-14-10-15/h4-5,10-12H,1-3,6-9,13H2.
What are the key properties of [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine?
[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 106938475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).