3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol

C17H31N3O2 — CID 161343644

IUPAC3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)C(N)CCC1O.CC1(C)C(O)CCC1n1ccnc1
InChIInChI=1S/C10H16N2O.C7H15NO/c1-10(2)8(3-4-9(10)13)12-6-5-11-7-12;1-7(2)5(8)3-4-6(7)9/h5-9,13H,3-4H2,1-2H3;5-6,9H,3-4,8H2,1-2H3
InChIKeyVMZWLACYTKXBJR-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.10
Rot. Bonds1

About 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol

3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol (PubChem CID 161343644) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol
PubChem CID161343644
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)C(N)CCC1O.CC1(C)C(O)CCC1n1ccnc1
InChIInChI=1S/C10H16N2O.C7H15NO/c1-10(2)8(3-4-9(10)13)12-6-5-11-7-12;1-7(2)5(8)3-4-6(7)9/h5-9,13H,3-4H2,1-2H3;5-6,9H,3-4,8H2,1-2H3
InChIKeyVMZWLACYTKXBJR-UHFFFAOYSA-N
XLogP2.10
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol (CID 161343644) is 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol is CC1(C)C(N)CCC1O.CC1(C)C(O)CCC1n1ccnc1.
What is the InChIKey of 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol?
The InChIKey is VMZWLACYTKXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C7H15NO/c1-10(2)8(3-4-9(10)13)12-6-5-11-7-12;1-7(2)5(8)3-4-6(7)9/h5-9,13H,3-4H2,1-2H3;5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol?
3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylcyclopentan-1-ol;3-imidazol-1-yl-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 161343644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).