N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine

C12H21N3O2 — CID 55231874

IUPACN-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine
SMILESCOC(CNC1CCCC1n1ccnc1)OC
InChIInChI=1S/C12H21N3O2/c1-16-12(17-2)8-14-10-4-3-5-11(10)15-7-6-13-9-15/h6-7,9-12,14H,3-5,8H2,1-2H3
InChIKeyQROFDUIVHMJURU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.19
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine

N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 55231874) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID55231874
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine
SMILESCOC(CNC1CCCC1n1ccnc1)OC
InChIInChI=1S/C12H21N3O2/c1-16-12(17-2)8-14-10-4-3-5-11(10)15-7-6-13-9-15/h6-7,9-12,14H,3-5,8H2,1-2H3
InChIKeyQROFDUIVHMJURU-UHFFFAOYSA-N
XLogP1.19
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine (CID 55231874) is N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine is COC(CNC1CCCC1n1ccnc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is QROFDUIVHMJURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-16-12(17-2)8-14-10-4-3-5-11(10)15-7-6-13-9-15/h6-7,9-12,14H,3-5,8H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine?
N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 55231874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).