3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol

C14H23N3O — CID 112633655

IUPAC3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NC1CCCC1n1ccnc1
InChIInChI=1S/C14H23N3O/c1-14(2)12(8-13(14)18)16-10-4-3-5-11(10)17-7-6-15-9-17/h6-7,9-13,16,18H,3-5,8H2,1-2H3
InChIKeyYIIHHMIFKLOTFW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds3

About 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633655) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633655
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NC1CCCC1n1ccnc1
InChIInChI=1S/C14H23N3O/c1-14(2)12(8-13(14)18)16-10-4-3-5-11(10)17-7-6-15-9-17/h6-7,9-13,16,18H,3-5,8H2,1-2H3
InChIKeyYIIHHMIFKLOTFW-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 112633655) is 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NC1CCCC1n1ccnc1.
What is the InChIKey of 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YIIHHMIFKLOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2)12(8-13(14)18)16-10-4-3-5-11(10)17-7-6-15-9-17/h6-7,9-13,16,18H,3-5,8H2,1-2H3.
What are the key properties of 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).