[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine

C13H23N3O — CID 114528585

IUPAC[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
SMILESCn1ccnc1CCOCC1CCCC1CN
InChIInChI=1S/C13H23N3O/c1-16-7-6-15-13(16)5-8-17-10-12-4-2-3-11(12)9-14/h6-7,11-12H,2-5,8-10,14H2,1H3
InChIKeyUCIMFMFUQHJZHK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.35
Rot. Bonds6

About [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine

[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine (PubChem CID 114528585) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
PubChem CID114528585
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
SMILESCn1ccnc1CCOCC1CCCC1CN
InChIInChI=1S/C13H23N3O/c1-16-7-6-15-13(16)5-8-17-10-12-4-2-3-11(12)9-14/h6-7,11-12H,2-5,8-10,14H2,1H3
InChIKeyUCIMFMFUQHJZHK-UHFFFAOYSA-N
XLogP1.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.35
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-[(1-ethylimidazol-2-yl)methoxymethyl]cyclopentyl]methanamine
CID 106938478
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine
CID 106938434
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
CID 114796078
[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
CID 82892394
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
2-methyl-6-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 106781510

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine (CID 114528585) is [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine is Cn1ccnc1CCOCC1CCCC1CN.
What is the InChIKey of [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine?
The InChIKey is UCIMFMFUQHJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-7-6-15-13(16)5-8-17-10-12-4-2-3-11(12)9-14/h6-7,11-12H,2-5,8-10,14H2,1H3.
What are the key properties of [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine?
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 114528585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).