methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate

C14H23N3O2 — CID 79651528

IUPACmethyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)12-16-7-8-17(12)11-5-6-14(9-11,15-3)13(18)19-4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyYATDJCIBEXDYMJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds4

About methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate

methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79651528) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79651528
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)12-16-7-8-17(12)11-5-6-14(9-11,15-3)13(18)19-4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyYATDJCIBEXDYMJ-UHFFFAOYSA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate (CID 79651528) is methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(n2ccnc2C(C)C)C1.
What is the InChIKey of methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is YATDJCIBEXDYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)12-16-7-8-17(12)11-5-6-14(9-11,15-3)13(18)19-4/h7-8,10-11,15H,5-6,9H2,1-4H3.
What are the key properties of methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).