1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole

C14H25N3 — CID 99825714

IUPAC1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
SMILESCC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1
InChIInChI=1S/C14H25N3/c1-14(2,3)6-9-17-8-4-5-13(17)11-16-10-7-15-12-16/h7,10,12-13H,4-6,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyGZNAZHZXSGFMRT-CYBMUJFWSA-N
MW235.38 g/mol
LogP2.78
Rot. Bonds4

About 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole

1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole (PubChem CID 99825714) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
PubChem CID99825714
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
SMILESCC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1
InChIInChI=1S/C14H25N3/c1-14(2,3)6-9-17-8-4-5-13(17)11-16-10-7-15-12-16/h7,10,12-13H,4-6,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyGZNAZHZXSGFMRT-CYBMUJFWSA-N
XLogP2.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
The IUPAC name of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole (CID 99825714) is 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole is CC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1.
What is the InChIKey of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
The InChIKey is GZNAZHZXSGFMRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)6-9-17-8-4-5-13(17)11-16-10-7-15-12-16/h7,10,12-13H,4-6,8-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole has a molecular weight of 235.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole is sourced from PubChem (CID 99825714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).